data_2xv9_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 2xv9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.67 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 1.43 110.722 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 2.39 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.631 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.69 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.445 ' CB ' HD22 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.26 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.62 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 1.31 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 2.32 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.73 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 2.17 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.507 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 1.12 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.52 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 2.39 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.731 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 1.5 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.97 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.8 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.74 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 1.42 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.94 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 3.3 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.66 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 2.17 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 1.26 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 3.37 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 3.34 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.83 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 1.15 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.91 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.09 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 1.18 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 2.18 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 1.09 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.702 ' HH ' HG22 ' A' ' 57' ' ' THR . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 1.06 111.723 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.2 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 1.38 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 1.13 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 2.33 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 3.01 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 1.06 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.702 HG22 ' HH ' ' A' ' 45' ' ' TYR . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 1.17 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.98 110.378 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 1.35 111.365 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 1.25 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 4.45 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.38 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 2.17 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.64 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 2.0 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 2.05 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 1.4 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 2.11 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 1.24 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 1.26 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 1.56 111.014 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.61 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 2.16 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.95 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.84 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 2.04 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 1.0 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 1.42 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.94 110.583 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 90' ' ' LYS . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 3.39 111.058 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.71 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.536 ' HZ1' ' HB2' ' A' ' 94' ' ' LYS . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.54 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 1.5 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.41 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 1.73 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 1.28 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 2.0 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 3.24 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 1.25 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.563 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.55 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 2.3 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.64 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.95 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.41 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 1.3 109.751 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 1.33 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 2.3 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.6 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 1.0 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 1.21 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.97 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 2.05 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 119' ' ' ALA . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 1.21 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.566 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.84 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 1.15 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.1 m . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.89 112.662 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.405 0.145 . . . . 1.67 111.274 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 1.43 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.684 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 2.39 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.69 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.44 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.26 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.699 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.62 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 1.31 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 2.32 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.73 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 2.17 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.38 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.519 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 1.12 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.52 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 2.39 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.534 ' O ' HD22 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 1.5 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.97 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.8 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.74 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 1.42 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.94 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 3.3 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.66 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 2.17 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 1.26 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 3.37 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 3.34 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' HE2' ' A' ' 27' ' ' MET . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.83 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 1.15 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.91 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 1.09 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 1.18 111.319 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 2.18 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 1.09 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.733 ' HH ' ' HZ2' ' A' ' 53' ' ' LYS . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 1.06 110.889 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.2 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 1.38 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 1.13 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.733 ' HZ2' ' HH ' ' A' ' 45' ' ' TYR . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 2.33 109.369 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 3.01 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 1.06 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 1.17 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.98 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 1.35 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 1.25 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 4.45 109.626 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 1.38 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 2.17 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.64 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 2.0 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 2.05 112.175 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 1.4 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 2.11 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 1.24 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 1.26 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 1.56 110.783 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.482 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.61 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 2.16 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.95 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.84 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 2.04 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 1.0 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 1.42 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.94 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.71 106.963 169.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HB2' HG13 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.54 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 1.5 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.688 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.41 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 1.73 110.179 175.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 1.28 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 2.0 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 3.24 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 1.25 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.523 ' H ' HG12 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.55 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 2.3 110.733 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.64 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.95 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 1.41 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.41 HD11 ' HG2' ' A' ' 110' ' ' LYS . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 1.3 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 1.33 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.449 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 2.3 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.6 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 1.0 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 1.21 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.97 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 2.05 109.444 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 119' ' ' ALA . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 1.21 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.538 ' C ' ' H ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.84 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 1.15 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 124' ' ' TYR . 3.5 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.89 110.183 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.837 0.351 . . . . 1.67 111.401 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 1.43 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 5' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 2.39 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.69 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.26 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.62 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.471 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 1.31 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 2.32 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.73 112.678 -170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 2.17 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.38 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 1.12 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.52 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 2.39 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 1.5 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.97 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.8 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.74 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.503 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 1.42 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.94 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 3.3 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.66 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 2.17 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.534 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 1.26 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 3.37 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 3.34 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.503 ' O ' ' HE2' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.83 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 1.15 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.91 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 1.09 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 1.18 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 2.18 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 1.09 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.474 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 1.06 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.2 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 1.38 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 1.13 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 2.33 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 3.01 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 1.06 109.473 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 1.17 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.98 109.797 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 1.35 111.549 171.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 1.25 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 4.45 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 1.38 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 2.17 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.64 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.495 ' HE2' ' CD ' ' A' ' 108' ' ' GLU . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 2.0 109.715 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 2.05 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 1.4 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 2.11 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.24 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 1.26 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 1.56 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.61 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 2.16 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.95 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.84 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 2.04 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 1.0 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 1.42 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.94 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 3.39 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.662 ' O ' HG22 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.71 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.54 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 1.5 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.41 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 1.73 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 2.0 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 3.24 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 1.25 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.55 113.041 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.514 ' HG3' ' OE2' ' A' ' 108' ' ' GLU . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 2.3 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.64 111.619 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.95 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 1.41 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 1.3 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 1.33 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 2.3 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.6 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 1.0 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 1.21 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.97 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HZ3' ' HB2' ' A' ' 122' ' ' LYS . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 2.05 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 1.21 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.84 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 1.15 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 124' ' ' TYR . 17.4 m . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.89 111.424 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.859 0.362 . . . . 1.67 110.558 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 1.43 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 2.39 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.69 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.26 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.62 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 1.31 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.604 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 2.32 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.73 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 2.17 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.38 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 1.12 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.52 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 2.39 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' O ' HD22 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 1.5 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.97 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.8 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.74 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.43 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 1.42 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.94 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 3.3 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.66 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 2.17 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 1.26 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 3.37 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 3.34 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.83 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 1.15 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.91 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 1.09 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 1.18 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 2.18 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 1.09 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 1.06 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.2 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.438 ' H ' ' HB3' ' A' ' 49' ' ' GLU . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 1.38 113.103 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 1.13 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 2.33 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 3.01 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 1.06 109.956 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 1.17 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.98 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 1.35 111.458 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 1.25 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 4.45 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.38 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 2.17 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.64 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 2.0 114.735 166.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 2.05 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 100' ' ' ALA . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 1.4 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HZ2' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 2.11 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 1.24 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 1.26 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 1.56 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.61 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 2.16 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.95 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.84 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 2.04 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 1.42 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.424 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.94 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 3.39 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.746 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.476 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.71 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.54 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 1.5 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.41 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 1.73 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 1.28 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 2.0 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 3.24 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 1.25 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.581 HG11 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.581 ' H ' HG11 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.55 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 109' ' ' LYS . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.484 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.64 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 14.6 mm100 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.95 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.419 ' HB2' HG23 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 1.41 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 1.3 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 1.33 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 2.3 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.6 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 1.0 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 1.21 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.97 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 2.05 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 1.21 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.562 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.84 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 1.15 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.89 110.681 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.743 -0.465 . . . . 1.67 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 1.43 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 2.39 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.69 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.26 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.62 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 1.31 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 2.32 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.73 112.677 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 2.17 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.38 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 1.12 108.536 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.52 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 2.39 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 1.5 110.014 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.97 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.8 111.273 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.74 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.94 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 3.3 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.66 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 2.17 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 1.26 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 3.37 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 3.34 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.83 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.559 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 1.15 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.91 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 1.09 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 1.18 111.379 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 2.18 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 1.09 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.657 ' HH ' ' HZ2' ' A' ' 53' ' ' LYS . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 1.06 111.26 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.2 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 1.38 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 1.13 109.2 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HZ2' ' HH ' ' A' ' 45' ' ' TYR . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 2.33 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 3.01 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 1.06 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 1.17 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.98 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 1.35 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 1.25 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 4.45 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.784 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 1.38 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.603 ' O ' HG11 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 2.17 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.64 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 2.0 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 2.05 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 1.4 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 2.11 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.563 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 1.24 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 1.26 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 1.56 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.61 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 2.16 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.95 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.84 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 2.04 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 1.0 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 1.42 108.93 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.94 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 3.39 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.76 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.71 106.357 167.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.54 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 1.5 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.76 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.41 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.521 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 1.73 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 1.28 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 2.0 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 3.24 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 1.25 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.55 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 2.3 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.64 111.399 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.95 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 1.41 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.679 ' CD1' HG12 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 1.3 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 1.33 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.508 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 2.3 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.6 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 1.0 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 1.21 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.508 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.97 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 2.05 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 1.21 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.514 ' C ' ' H ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.84 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 1.15 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 124' ' ' TYR . 6.5 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.89 111.042 166.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.801 0.334 . . . . 1.67 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.431 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 1.43 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 2.39 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.69 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.431 ' CB ' HD22 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.26 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.62 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 1.31 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 2.32 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.73 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 2.17 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.38 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 1.12 108.724 173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.52 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 2.39 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 1.5 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.97 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.8 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.74 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 1.42 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.94 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 3.3 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.66 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 2.17 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 3.37 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 3.34 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.83 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.619 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 1.15 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.91 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' HD23 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.09 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 1.18 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 2.18 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 1.09 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 1.06 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.2 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 1.38 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 1.13 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 2.33 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 3.01 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 1.06 109.849 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 1.17 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.98 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 1.35 111.496 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 1.25 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 4.45 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.592 ' O ' HG13 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 1.38 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 2.17 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.64 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.407 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 43.1 t60 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 2.0 109.434 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.663 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 2.05 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 1.4 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 2.11 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 1.24 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.26 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD11 HD23 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 1.56 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.61 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 2.16 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.95 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.84 111.534 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 2.04 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 1.0 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 1.42 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' HD22 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.94 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 3.39 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.71 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.54 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 1.5 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.785 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.41 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 1.73 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.785 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 1.28 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 2.0 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 3.24 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 1.25 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.481 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.55 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.663 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 2.3 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.64 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.95 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.407 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 1.41 109.738 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 110' ' ' LYS . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 1.3 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 1.33 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.498 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 2.3 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.6 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 1.0 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 1.21 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.97 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 2.05 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 119' ' ' ALA . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 1.21 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.561 ' C ' ' H ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.84 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 1.15 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.561 ' H ' ' C ' ' A' ' 124' ' ' TYR . 10.4 m . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.89 113.389 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.004 0.43 . . . . 1.67 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 1.43 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 2.39 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.69 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD22 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.26 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.62 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 1.31 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 2.32 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.73 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 2.17 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.38 111.197 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 1.12 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.52 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 2.39 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 1.5 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.97 111.903 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.8 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.74 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 1.42 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.94 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 3.3 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.66 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 2.17 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 3.37 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 3.34 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.83 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 1.15 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.91 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 1.09 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 1.18 111.58 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 2.18 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 1.09 110.055 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.644 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 1.06 111.779 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.2 111.413 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 1.38 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 1.13 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 2.33 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 3.01 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 1.06 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.644 ' HG1' ' HH ' ' A' ' 45' ' ' TYR . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 1.17 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.98 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 1.35 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 1.25 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 4.45 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.606 ' O ' HG13 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 1.38 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 2.17 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.64 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 2.0 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 2.05 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.552 ' CG2' ' HB2' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 1.4 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 2.11 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 1.24 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 1.26 110.025 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 1.56 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.61 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 2.16 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.95 109.363 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.84 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 2.04 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 1.0 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 1.42 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.94 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 3.39 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.71 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.54 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 1.5 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.41 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 1.73 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.552 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 1.28 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 2.0 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 3.24 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 1.25 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.55 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.447 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.591 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 2.3 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.466 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.64 111.329 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.95 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 1.41 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.701 ' CD1' HG12 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 1.3 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 1.33 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 2.3 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.6 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 1.0 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 1.21 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.97 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 2.05 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 1.21 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.84 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 1.15 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.89 110.967 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.255 0.55 . . . . 1.67 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 1.43 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.679 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 2.39 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.69 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.528 ' CB ' HD22 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.26 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.62 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 1.31 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 2.32 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.73 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 2.17 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.38 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 1.12 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.52 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 2.39 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 27.8 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 1.5 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.97 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.8 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.74 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 1.42 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.94 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 3.3 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.66 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 2.17 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.545 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 1.26 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 3.37 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 3.34 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.83 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 1.15 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.91 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 1.09 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 1.18 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 2.18 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 1.09 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 1.06 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.2 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 1.38 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 1.13 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 2.33 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 3.01 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 1.06 109.608 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 1.17 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.98 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 1.35 111.51 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 1.25 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 4.45 109.681 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.526 ' O ' HG22 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 1.38 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' HG11 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 2.17 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.64 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.474 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 2.0 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 2.05 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 1.4 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 2.11 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 1.24 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 1.26 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 1.56 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.61 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 2.16 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.95 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HA ' ' HB1' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.84 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 2.04 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 1.0 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 1.42 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.94 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 3.39 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.877 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.71 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.54 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 1.5 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.41 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.877 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 1.73 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 1.28 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.6 HD21 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 2.0 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 3.24 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 1.25 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.547 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.55 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.466 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 2.3 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.64 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.95 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 1.41 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 1.3 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 1.33 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 2.3 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.6 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 1.0 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 1.21 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.97 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 2.05 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' ALA . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 1.21 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.536 ' C ' ' H ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.84 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 1.15 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 124' ' ' TYR . 21.2 m . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.89 110.314 165.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 107.587 -1.264 . . . . 1.67 107.587 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 1.43 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.705 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 2.39 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.69 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.504 ' CB ' HD22 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.26 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.62 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 1.31 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 2.32 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.73 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 2.17 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.38 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 HD11 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 1.12 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.52 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 2.39 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 1.5 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.97 111.938 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.8 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.74 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 1.42 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.94 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 3.3 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.66 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 2.17 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 1.26 111.45 -174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' HD11 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 3.37 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 3.34 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.83 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 1.15 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.91 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 1.09 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 1.18 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 2.18 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 1.09 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 1.06 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.2 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 1.38 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 1.13 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 2.33 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 3.01 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 1.06 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 1.17 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 1.35 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 1.25 109.778 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 4.45 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.626 ' O ' HG13 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 1.38 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.534 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 2.17 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.64 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 2.0 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 2.05 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.545 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 1.4 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.545 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 2.11 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 1.24 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 1.26 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 1.56 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.61 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 2.16 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.95 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.84 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 2.04 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 1.0 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 1.42 107.793 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.94 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 3.39 110.858 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.838 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.71 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.54 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 1.5 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.41 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.838 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 1.73 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 1.28 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD21 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 2.0 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 3.24 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 1.25 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.412 HG13 HD13 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.55 112.804 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 2.3 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.64 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.95 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.521 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 1.41 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 1.3 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 1.33 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 2.3 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.6 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 1.0 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 1.21 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.97 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 2.05 110.154 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 1.21 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.84 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 1.15 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m . . . . . 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.89 112.981 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.77 -0.456 . . . . 1.67 109.77 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 2.39 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.424 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.69 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD22 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.26 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.62 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 1.31 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 2.32 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.73 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 2.17 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.38 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 1.12 108.669 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.52 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 2.39 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.578 ' O ' HD22 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 1.5 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.97 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.8 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.74 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 1.42 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.94 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 3.3 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.66 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 2.17 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 1.26 110.08 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 38' ' ' GLU . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 3.37 110.531 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 3.34 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB3' HD12 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.83 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 1.15 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.91 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 1.09 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 1.18 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 2.18 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HE2' HD23 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 1.09 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 1.06 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.2 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 1.38 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 1.13 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 2.33 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 3.01 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 1.06 109.813 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 1.17 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.98 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 1.25 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 4.45 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG13 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 1.38 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 2.17 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.64 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.551 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 9.5 t60 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 2.0 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 2.05 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.539 HG11 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 1.4 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB3' HG11 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 2.11 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 1.24 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.26 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 1.56 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.61 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 2.16 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.95 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.84 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 2.04 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 1.0 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 1.42 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.94 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 3.39 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.71 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.604 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.54 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 1.5 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.41 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 1.73 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 1.28 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 2.0 111.727 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 3.24 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 1.25 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.55 112.666 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.497 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.622 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 2.3 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.64 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 23.8 tp60 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.95 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.466 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 1.41 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.467 HD12 HG12 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 1.3 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 1.33 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 2.3 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.6 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 1.0 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 1.21 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.624 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.97 110.863 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.838 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 2.05 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 119' ' ' ALA . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 1.21 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.84 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 1.15 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.838 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.89 112.99 -148.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 108.279 -1.008 . . . . 1.67 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 1.43 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 2.39 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.69 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.415 ' CB ' HD22 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.26 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.62 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 1.31 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 2.32 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.73 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 2.17 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.38 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 1.12 108.492 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.52 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 2.39 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.423 ' O ' HD22 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 1.5 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.97 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.8 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.74 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 1.42 111.795 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.94 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 3.3 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.66 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 2.17 107.972 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 1.26 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 3.37 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 3.34 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.83 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 1.15 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 1.09 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.18 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 2.18 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.486 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 1.09 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 1.06 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.2 113.198 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 1.38 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 1.13 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 2.33 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 3.01 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 1.06 109.812 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 1.17 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.98 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 60' ' ' LEU . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 1.35 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 1.25 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.601 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 4.45 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 1.38 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HA ' HG13 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 2.17 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.64 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 2.0 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 67' ' ' ILE . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 2.05 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.551 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 1.4 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 2.11 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 1.24 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 1.26 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 1.56 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.61 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 2.16 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.95 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' HB1' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.84 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 2.04 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 1.0 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 1.42 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.94 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HB2' HG13 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 3.39 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.71 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' O ' HG13 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.54 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 1.5 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.41 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.603 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 1.73 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 1.28 110.96 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 113' ' ' ILE . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 2.0 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 3.24 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 1.25 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.543 HG11 ' H ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.543 ' H ' HG11 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.55 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 105' ' ' THR . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 2.3 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.64 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.7 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.95 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 1.41 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 101' ' ' LEU . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 1.3 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 1.33 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 2.3 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.6 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 1.0 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 1.21 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.97 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 2.05 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 1.21 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.84 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 1.15 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.4 m . . . . . 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.89 112.224 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.92 0.391 . . . . 1.67 110.701 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 7' ' ' SER . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 1.43 108.988 177.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 2.39 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 4' ' ' THR . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.69 113.442 -176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.439 ' CB ' HD22 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.26 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.62 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 1.31 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 2.32 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.73 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 2.17 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 1.12 108.865 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.52 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 2.39 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.656 ' O ' HD21 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 1.5 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' N ' ' A' ' 24' ' ' LEU . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.97 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.8 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.74 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 36' ' ' GLU . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 1.42 112.892 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.94 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 3.3 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.66 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 2.17 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 1.26 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD11 ' A' ' 37' ' ' LEU . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 3.37 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 3.34 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' HE3' ' A' ' 27' ' ' MET . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 34' ' ' LYS . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.83 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 1.15 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.763 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.91 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 1.09 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 1.18 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 2.18 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.763 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 1.09 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 1.06 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.2 112.899 -177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 1.38 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 1.13 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 2.33 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 3.01 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 1.06 109.865 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 1.17 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.98 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 1.35 111.563 174.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 1.25 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 4.45 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.38 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 2.17 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.64 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 17.3 t60 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 2.0 108.497 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 2.05 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 1.4 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 2.11 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 1.24 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 1.26 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 1.56 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.61 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 2.16 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.95 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.84 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 2.04 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 1.0 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 1.42 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.94 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HG3' HG13 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 3.39 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.693 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.71 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.54 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 1.5 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.41 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.693 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 1.73 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 1.28 111.184 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD21 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 2.0 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 3.24 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 1.25 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.537 HG11 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.537 ' H ' HG11 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.55 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.483 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.64 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.95 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.437 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 1.41 110.095 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 1.3 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 1.33 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 2.3 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.6 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 1.0 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 1.21 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 2.05 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 1.21 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.84 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 1.15 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 124' ' ' TYR . 6.3 m . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.89 111.917 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 121.462 0.648 . . . . 1.67 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 1.43 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 2.39 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.461 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.69 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.26 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.62 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 1.31 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 2.32 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.73 112.861 -171.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 2.17 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.38 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 1.12 108.769 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.52 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 2.39 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 1.5 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.97 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.8 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.74 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 1.42 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.94 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 3.3 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.66 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 2.17 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 1.26 110.933 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 3.37 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 3.34 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.83 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 1.15 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.91 111.216 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 1.09 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 1.18 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 2.18 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 1.09 110.355 174.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 1.06 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.2 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 1.38 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 1.13 109.953 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 2.33 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 3.01 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.5 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 1.06 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 1.17 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.98 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 56' ' ' ALA . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 1.35 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 1.25 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 4.45 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.76 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 1.38 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 2.17 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 65' ' ' ARG . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.64 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 2.0 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 2.05 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 1.4 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.762 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 2.11 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 1.24 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 1.26 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 1.56 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.61 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 2.16 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.95 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 2.04 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 1.0 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 1.42 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.94 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 3.39 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.71 106.709 165.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.54 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 1.5 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.744 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.41 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.47 HG23 HD12 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 1.73 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 1.28 110.7 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 2.0 111.078 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 3.24 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 1.25 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.55 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 2.3 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.64 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.95 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.414 ' HB2' HG23 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 1.41 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.545 ' CD1' HG12 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 1.3 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 1.33 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 2.3 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.6 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 1.0 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 1.21 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.97 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 2.05 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 119' ' ' ALA . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 1.21 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.84 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 1.15 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 124' ' ' TYR . 31.0 m . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.89 110.313 164.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.457 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.206 0.527 . . . . 1.67 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 1.43 109.119 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 2.39 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.69 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.26 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.62 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 1.31 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 2.32 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.73 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 2.17 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.38 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 1.12 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.52 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 2.39 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 1.5 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.97 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.8 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.74 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 1.42 112.021 176.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.94 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 3.3 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.66 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 2.17 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.53 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 1.26 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 3.37 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 3.34 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 27' ' ' MET . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.83 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 1.15 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.518 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.91 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 1.09 111.415 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 1.18 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 2.18 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 1.09 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.468 ' HH ' HG21 ' A' ' 57' ' ' THR . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 1.06 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.2 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.488 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.38 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 1.13 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 2.33 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 3.01 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 1.06 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.499 ' HG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.17 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.98 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 1.35 111.67 174.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 1.25 110.017 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 4.45 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 1.38 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HA ' HG11 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 2.17 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.64 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 2.0 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 2.05 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 1.4 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 2.11 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 1.24 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 1.26 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 1.56 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.61 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 2.16 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.95 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.84 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 2.04 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 1.0 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 1.42 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.94 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 3.39 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.737 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.879 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.71 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.54 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 1.5 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.41 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.879 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 1.73 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 1.28 109.622 173.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 2.0 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 3.24 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 1.25 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.607 ' H ' HG12 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.55 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 2.3 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.64 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.485 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.95 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 1.41 109.713 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 1.3 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 1.33 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 2.3 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.6 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 1.0 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 1.21 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.97 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 2.05 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 1.21 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.577 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.84 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 1.15 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.89 111.771 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.505 0.669 . . . . 1.67 111.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 1.43 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 2.39 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.69 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.26 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.62 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 1.31 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.487 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 2.32 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 13' ' ' LEU . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.73 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 2.17 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.38 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 1.12 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.52 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 2.39 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.53 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 1.5 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.97 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.8 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.74 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.531 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 1.42 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.94 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 3.3 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.66 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 2.17 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 1.26 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 3.37 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 3.34 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' ' HE2' ' A' ' 27' ' ' MET . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.83 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 1.15 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.91 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.09 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 1.18 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 2.18 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 1.09 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.979 ' HH ' HG22 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 1.06 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.2 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 1.38 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 1.13 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 2.33 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 3.01 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 1.06 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.979 HG22 ' HH ' ' A' ' 45' ' ' TYR . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 1.17 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.98 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 1.35 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HE3' HG21 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 1.25 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 4.45 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.624 ' O ' HG13 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 2.17 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.64 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 12.8 t60 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 2.0 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 2.05 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 100' ' ' ALA . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 1.4 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 2.11 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 1.24 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 1.26 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 1.56 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.61 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 2.16 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.95 109.641 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.479 ' HB2' HD12 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.84 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 2.04 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 1.0 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 1.42 108.462 172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.94 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 3.39 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.71 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.54 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 1.5 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.41 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 1.73 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 1.28 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 2.0 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 3.24 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 1.25 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.55 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.437 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 2.3 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.64 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.95 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.594 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 1.41 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.439 HD13 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 1.3 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 1.33 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 2.3 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.6 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 1.0 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 1.21 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.97 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 2.05 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 1.21 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.84 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 1.15 119.932 -149.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 124' ' ' TYR . 17.1 m . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.89 111.088 164.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.67 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.714 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 2.39 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.69 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.429 ' CB ' HD22 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.26 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.62 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 1.31 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 2.32 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.73 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 2.17 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.408 ' HE1' HD13 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.38 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 1.12 108.992 174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.52 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 2.39 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 1.5 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 24' ' ' LEU . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.97 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.8 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.74 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.428 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 1.42 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.94 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 3.3 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.66 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 2.17 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 1.26 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 3.37 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 3.34 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.83 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 1.15 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HB3' HD13 ' A' ' 24' ' ' LEU . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.91 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 1.09 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 1.18 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 2.18 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 1.09 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 1.06 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.2 112.269 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG3' ' HB1' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 1.38 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 1.13 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 2.33 109.739 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 3.01 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 1.06 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 1.17 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.98 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 56' ' ' ALA . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 1.35 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 1.25 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 4.45 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.646 ' O ' HG13 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 1.38 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 2.17 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.64 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 2.0 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 2.05 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG2' ' HB2' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 1.4 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 2.11 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 1.24 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 1.56 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.61 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 2.16 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 83' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.95 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.84 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 2.04 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 1.42 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.94 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 3.39 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.71 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.54 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 1.5 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.41 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 1.73 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 1.28 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 2.0 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 3.24 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 1.25 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.55 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.595 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 2.3 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.64 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.95 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 1.41 109.613 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.538 ' CD1' HG12 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 1.3 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 1.33 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.544 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 2.3 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.6 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 1.0 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 1.21 111.329 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.544 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.97 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 2.05 108.265 168.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 1.21 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.84 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 1.15 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.558 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.3 m . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.89 111.713 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.416 0.626 . . . . 1.67 111.684 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 1.43 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 2.39 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.69 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.494 ' CB ' HD22 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.26 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.535 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.62 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 1.31 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 2.32 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.494 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.73 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 2.17 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.38 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 1.12 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.52 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 2.39 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 1.5 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.97 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.8 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.74 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 1.42 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.94 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 3.3 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.66 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 2.17 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 1.26 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 3.37 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 3.34 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.558 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.83 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 1.15 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.531 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.91 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 1.09 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 1.18 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 2.18 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 1.09 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HH ' HG21 ' A' ' 57' ' ' THR . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 1.06 110.966 176.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.2 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 1.38 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 1.13 109.948 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 2.33 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 3.01 110.951 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 1.06 109.84 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 1.17 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.98 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 60' ' ' LEU . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 1.35 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 1.25 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 4.45 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 1.38 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.662 ' O ' HG11 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 2.17 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.64 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 2.0 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 2.05 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 1.4 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 2.11 111.778 -168.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.556 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 1.24 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 1.26 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 1.56 110.98 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.61 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 2.16 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.95 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.84 111.155 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 2.04 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 1.0 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 1.42 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.409 ' O ' HD22 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.94 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 3.39 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.832 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.71 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.54 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 1.5 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.41 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.832 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 1.73 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 1.28 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 2.0 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 3.24 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 1.25 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.602 HG11 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.602 ' H ' HG11 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.55 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 2.3 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.64 112.239 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.95 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . 0.407 ' HB2' HG23 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 1.41 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.405 HD12 HG12 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 1.3 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 1.33 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 2.3 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.6 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 1.0 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 1.21 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.97 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 2.05 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 1.21 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.566 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.84 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 1.15 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m . . . . . 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.89 110.709 167.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.368 0.604 . . . . 1.67 110.531 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 1.43 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 2.39 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HA ' HD21 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.69 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.26 114.773 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.62 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 1.31 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 2.32 111.63 -177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.73 113.348 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 2.17 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.38 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 1.12 109.001 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.52 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 2.39 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 1.5 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 24' ' ' LEU . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.97 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.8 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.74 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.443 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 1.42 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.94 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 3.3 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.66 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 2.17 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.47 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 3.37 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.739 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 3.34 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' ' HE2' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.83 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 1.15 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.91 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 1.09 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 1.18 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 2.18 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 1.09 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.802 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 1.06 110.597 175.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.2 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 1.38 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 1.13 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 2.33 109.409 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 3.01 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 1.06 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.802 ' HG1' ' HH ' ' A' ' 45' ' ' TYR . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 1.17 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.98 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 1.35 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 1.25 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.599 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 4.45 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 1.38 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 2.17 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.64 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 2.0 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.662 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 2.05 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 1.4 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 2.11 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 1.24 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 1.26 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 1.56 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.61 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 2.16 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.95 108.213 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.84 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 2.04 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 1.0 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 1.42 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.94 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 3.39 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.71 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.54 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 1.5 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.41 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 1.73 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 1.28 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 2.0 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 3.24 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 1.25 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.55 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 2.3 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.64 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.95 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 1.41 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.476 HD12 HG12 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 1.3 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 1.33 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.739 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 2.3 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.6 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 1.0 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 1.21 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.97 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 2.05 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 1.21 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.84 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 1.15 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 124' ' ' TYR . 2.6 p . . . . . 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.89 111.038 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.89 0.376 . . . . 1.67 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 1.43 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.738 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 2.39 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.69 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.46 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.26 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.62 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 1.31 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 2.32 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.73 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' THR . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 2.17 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.38 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 1.12 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.52 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 2.39 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.553 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.558 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 1.5 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.97 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.8 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.74 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 1.42 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.94 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 3.3 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.66 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 2.17 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB2' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 1.26 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 3.37 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 3.34 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.83 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.635 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 1.15 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.91 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 1.09 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.18 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 2.18 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.492 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 1.09 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 1.06 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.2 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 1.38 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 1.13 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 2.33 109.424 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 3.01 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 1.06 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 1.17 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.98 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 HD12 ' HE1' ' A' ' 15' ' ' TRP . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 1.35 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 57' ' ' THR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 1.25 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.587 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 4.45 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 1.38 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 2.17 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.64 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 7.4 t60 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 2.0 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.64 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 2.05 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.588 ' CG2' ' HB3' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 1.4 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 2.11 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 1.24 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 1.26 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 1.56 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.61 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 2.16 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.95 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.84 110.665 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 2.04 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 1.0 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 1.42 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.94 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HB2' HG11 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 3.39 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.71 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.54 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 1.5 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.41 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 1.28 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 2.0 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 3.24 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 1.25 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.45 HG12 HD12 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.55 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 2.3 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.64 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.95 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 1.41 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 HG12 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 1.3 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 1.33 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 2.3 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.6 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 1.0 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 1.21 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . 0.421 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.97 111.216 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 2.05 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 119' ' ' ALA . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 1.21 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.558 ' O ' HG12 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.84 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 1.15 119.43 -148.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 124' ' ' TYR . 30.3 m . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.89 111.468 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.657 0.265 . . . . 1.67 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 1.43 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 2.39 112.726 -172.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.69 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.26 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.62 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 1.31 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 2.32 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.73 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 2.17 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.38 111.415 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 1.12 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.52 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 2.39 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.466 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' SER . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 1.5 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' HD11 ' A' ' 24' ' ' LEU . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.97 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.8 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.74 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 1.42 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.94 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 3.3 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.66 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 2.17 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 1.26 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 3.37 109.527 175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 3.34 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HE2' ' A' ' 27' ' ' MET . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.83 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 1.15 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.91 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 1.09 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 1.18 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 2.18 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 1.09 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 1.06 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.2 112.794 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 1.38 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 1.13 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 2.33 110.175 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 3.01 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 1.06 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 1.17 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.98 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 1.35 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 1.25 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 4.45 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 1.38 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 2.17 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.64 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 2.0 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 2.05 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 1.4 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 2.11 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 1.24 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 1.26 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 1.56 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.61 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 2.16 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.95 109.673 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.84 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 2.04 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 1.0 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 1.42 108.711 172.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.94 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 3.39 110.385 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.768 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.494 ' O ' HG21 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.71 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.54 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 1.5 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.768 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.41 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 1.73 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.28 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 3.24 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 1.25 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.491 HG13 HD13 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.55 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 2.3 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.64 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.95 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 1.41 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 1.3 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 1.33 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 2.3 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.6 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 1.0 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 1.21 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.97 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 2.05 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 1.21 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.84 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 1.15 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 124' ' ' TYR . 4.0 t . . . . . 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.89 111.097 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.141 -0.384 . . . . 12.44 112.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 10.9 t -119.92 113.1 34.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.08 -0.341 . . . . 10.42 110.08 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 75.57 4.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.752 2.302 . . . . 9.74 111.993 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.86 107.39 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 8.29 111.212 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -173.37 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.505 0.669 . . . . 5.94 109.294 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.455 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 90.3 m-70 66.98 26.98 8.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.746 -1.116 . . . . 6.43 112.209 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -102.63 -35.82 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.895 -0.409 . . . . 4.54 109.895 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.58 41.57 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.052 -0.522 . . . . 1.67 110.64 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 1' ' ' HIS . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 1.43 110.722 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 2.39 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.631 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.69 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.445 ' CB ' HD22 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.26 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.62 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 1.31 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 2.32 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.445 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.73 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 2.17 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.38 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.507 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 1.12 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.52 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 2.39 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.731 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 1.5 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.731 HD23 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.97 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.8 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.44 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.74 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 1.42 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.94 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 3.3 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.66 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 2.17 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 1.26 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 3.37 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 3.34 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' N ' ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.83 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.54 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 1.15 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.91 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 1.09 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 1.18 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 2.18 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.567 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 1.09 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.702 ' HH ' HG22 ' A' ' 57' ' ' THR . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 1.06 111.723 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.2 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 1.38 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 1.13 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 2.33 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 3.01 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 1.06 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.702 HG22 ' HH ' ' A' ' 45' ' ' TYR . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 1.17 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.98 110.378 -177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 1.35 111.365 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 1.25 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.521 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 4.45 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 1.38 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.54 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 2.17 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.64 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 2.0 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 2.05 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.498 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 1.4 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.43 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 2.11 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 1.24 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 1.26 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 1.56 111.014 176.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.61 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 2.16 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.95 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.84 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 2.04 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 1.0 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.474 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 1.42 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.94 110.583 179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 90' ' ' LYS . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 3.39 111.058 178.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.474 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.412 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.71 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.536 ' HZ1' ' HB2' ' A' ' 94' ' ' LYS . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.54 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 1.5 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.41 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 1.73 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 1.28 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 2.0 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 3.24 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 1.25 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.563 ' H ' HG12 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.55 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 2.3 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.512 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.64 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.59 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.95 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 1.41 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 1.3 109.751 174.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 1.33 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.59 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 2.3 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.6 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 1.0 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 1.21 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.97 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.626 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 2.05 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 119' ' ' ALA . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 1.21 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.566 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.84 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 1.15 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.1 m -57.28 -10.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.89 112.662 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -45.7 -67.65 0.26 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.488 0.493 . . . . 3.3 111.291 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 61.5 m 66.97 116.36 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.036 0.446 . . . . 3.93 111.923 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.539 -0.755 . . . . 5.67 111.145 178.201 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.236 -0.345 . . . . 12.44 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 26.5 m -137.44 88.75 16.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.579 0.228 . . . . 10.42 110.436 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.44 87.33 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.851 2.367 . . . . 9.74 111.553 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -102.51 74.19 1.36 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.931 0.396 . . . . 8.29 111.209 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -75.99 -48.4 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.282 -1.007 . . . . 5.94 108.282 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 52.55 59.58 4.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.842 -1.072 . . . . 6.43 111.88 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -123.21 121.95 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.514 -0.55 . . . . 4.54 109.514 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 58.45 37.4 25.68 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.532 0.52 . . . . 1.67 111.274 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 1.43 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.684 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 2.39 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' HD11 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.69 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.44 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.26 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.62 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.44 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 1.31 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.438 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 2.32 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.73 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.699 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 2.17 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.38 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 1.12 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.447 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.52 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 2.39 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.534 ' O ' HD22 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 1.5 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.97 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.8 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.74 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.462 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 1.42 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.94 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 3.3 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.66 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 2.17 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.465 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 1.26 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 3.37 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.449 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 3.34 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' O ' ' HE2' ' A' ' 27' ' ' MET . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' N ' HD21 ' A' ' 37' ' ' LEU . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.83 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 1.15 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.91 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 1.09 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 1.18 111.319 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 2.18 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.579 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 1.09 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.733 ' HH ' ' HZ2' ' A' ' 53' ' ' LYS . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 1.06 110.889 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.2 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 1.38 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 1.13 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.733 ' HZ2' ' HH ' ' A' ' 45' ' ' TYR . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 2.33 109.369 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 3.01 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 1.06 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 1.17 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.438 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.98 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HB3' HD11 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 1.35 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 1.25 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 4.45 109.626 174.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 1.38 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 2.17 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.64 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 2.0 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 2.05 112.175 -166.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 1.4 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 2.11 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 1.24 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 1.26 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 1.56 110.783 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.482 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.61 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 2.16 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.95 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.84 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 2.04 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 1.0 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.431 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 1.42 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.94 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 3.39 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.688 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.71 106.963 169.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HB2' HG13 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.54 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 1.5 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.688 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.41 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 1.73 110.179 175.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.515 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 1.28 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD13 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 2.0 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.515 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 3.24 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 1.25 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.523 HG12 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.523 ' H ' HG12 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.55 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 2.3 110.733 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.523 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.64 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.496 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.95 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 1.41 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.41 HD11 ' HG2' ' A' ' 110' ' ' LYS . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 1.3 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 1.33 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.449 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 2.3 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.6 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 1.0 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 1.21 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.97 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 2.05 109.444 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 119' ' ' ALA . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 1.21 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.538 ' C ' ' H ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.84 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 1.15 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.538 ' H ' ' C ' ' A' ' 124' ' ' TYR . 3.5 t -38.96 -52.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.89 110.183 168.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -79.18 80.05 5.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.018 -0.992 . . . . 3.3 108.757 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -75.08 -24.95 58.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.7 . . . . 3.93 111.276 -174.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.644 -0.693 . . . . 5.67 110.636 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.923 -0.471 . . . . 12.44 111.923 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.6 m -124.34 114.17 27.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.381 -0.229 . . . . 10.42 110.381 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.91 48.53 2.67 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.845 2.363 . . . . 9.74 111.983 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 50.8 mt-10 -101.24 88.36 3.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 8.29 111.512 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -96.53 87.42 4.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.646 -0.872 . . . . 5.94 108.646 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.411 ' CD2' ' HB3' ' A' ' -1' ' ' GLU . 91.9 m-70 -81.83 145.89 30.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.802 -0.635 . . . . 6.43 110.324 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.02 -166.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 4.54 110.071 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -67.78 73.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 1.67 111.401 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 1.43 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.412 HD11 ' C ' ' A' ' 5' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 2.39 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.573 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.69 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.26 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.573 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.62 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.471 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 1.31 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 2.32 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.73 112.678 -170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 2.17 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.38 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 1.12 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.513 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.52 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 2.39 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.513 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 1.5 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.487 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.97 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.8 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.74 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.503 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 1.42 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.94 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 3.3 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.66 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 2.17 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.534 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 1.26 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 3.37 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 3.34 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.503 ' O ' ' HE2' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.534 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.83 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.599 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 1.15 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.91 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 1.09 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 1.18 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 2.18 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.407 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 1.09 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.474 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 1.06 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.2 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 1.38 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 1.13 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.474 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 2.33 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 3.01 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 1.06 109.473 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 1.17 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.98 109.797 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 1.35 111.549 171.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 1.25 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.471 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 4.45 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.589 ' O ' HG13 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 1.38 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.591 ' O ' HG13 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 2.17 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.64 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.495 ' HE2' ' CD ' ' A' ' 108' ' ' GLU . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 2.0 109.715 177.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.589 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 2.05 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' ' 68' ' ' LEU . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 1.4 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.56 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 2.11 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 1.24 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 1.26 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.436 ' O ' HD21 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 1.56 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.61 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 2.16 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.436 HD21 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.95 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.84 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 2.04 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 1.0 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 1.42 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.94 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 3.39 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.478 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.662 ' O ' HG22 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.71 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.497 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.54 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 1.5 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.41 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 1.73 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.497 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.5 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 1.28 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 2.0 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 3.24 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 1.25 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.435 ' CG1' HD13 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.55 113.041 -176.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.452 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.514 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.514 ' HG3' ' OE2' ' A' ' 108' ' ' GLU . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 2.3 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.64 111.619 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.95 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 1.41 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.435 HD13 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 1.3 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 1.33 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 2.3 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.6 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 1.0 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 1.21 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.97 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HZ3' ' HB2' ' A' ' 122' ' ' LYS . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 2.05 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 1.21 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.571 ' C ' ' H ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.84 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 1.15 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.571 ' H ' ' C ' ' A' ' 124' ' ' TYR . 17.4 m -52.83 -22.24 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.89 111.424 169.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 52.2 t-80 -64.4 -16.81 63.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.153 -0.476 . . . . 3.3 110.955 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m 64.52 47.7 2.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.478 -0.783 . . . . 3.93 109.929 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.585 -0.734 . . . . 5.67 110.647 -178.588 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.748 -0.541 . . . . 12.44 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.9 m 59.34 74.25 0.6 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.981 0.42 . . . . 10.42 110.69 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 158.91 33.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 9.74 112.533 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 54.51 72.94 0.43 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.757 -0.656 . . . . 8.29 111.62 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.45 104.8 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.583 -0.735 . . . . 5.94 109.799 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.56 138.4 41.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.731 -0.668 . . . . 6.43 109.552 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -88.01 155.53 19.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.22 -0.446 . . . . 4.54 110.803 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 58.22 62.71 1.93 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.989 0.806 . . . . 1.67 110.558 176.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 1.43 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 2.39 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.621 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.69 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.448 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.26 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.634 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.62 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 1.31 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.604 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 2.32 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.73 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 2.17 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.38 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 1.12 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.52 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 2.39 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' O ' HD22 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.402 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 1.5 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.97 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.8 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.528 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.74 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.43 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 1.42 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.423 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.94 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 3.3 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.66 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 2.17 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.575 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 1.26 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 3.37 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 3.34 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.83 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 1.15 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.91 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 1.09 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 1.18 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.452 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 2.18 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.416 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 1.09 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 1.06 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.402 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.2 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.66 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.438 ' H ' ' HB3' ' A' ' 49' ' ' GLU . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 1.38 113.103 -177.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 1.13 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.66 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 2.33 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 3.01 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 1.06 109.956 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 1.17 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.499 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.98 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 1.35 111.458 172.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 1.25 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.604 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.539 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 4.45 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.68 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 1.38 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.498 ' O ' HG11 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 2.17 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.539 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.64 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 2.0 114.735 166.349 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.68 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 2.05 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.455 HG22 ' HB3' ' A' ' 100' ' ' ALA . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 1.4 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.533 ' HZ2' ' HB2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 2.11 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 1.24 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 1.26 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 1.56 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.61 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 2.16 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.95 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.84 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 2.04 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 1.0 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 1.42 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.424 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.94 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 3.39 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.746 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.476 ' O ' HG21 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.71 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.54 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 1.5 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.746 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.41 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 1.73 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.508 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.464 ' HB3' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 1.28 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 2.0 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 3.24 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 1.25 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.581 HG11 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.581 ' H ' HG11 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.55 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.484 ' OD2' ' HD3' ' A' ' 109' ' ' LYS . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.484 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 2.3 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.64 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 14.6 mm100 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.95 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.419 ' HB2' HG23 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 1.41 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.419 HD12 HG12 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 1.3 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 1.33 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 2.3 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.6 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.525 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 1.0 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.506 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 1.21 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.97 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 2.05 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 1.21 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.562 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.84 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 1.15 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.562 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m -56.3 -22.57 14.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.89 110.681 167.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.465 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 44.0 t-80 -62.29 123.96 19.62 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.486 -0.561 . . . . 3.3 109.486 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -73.32 93.18 1.88 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.192 0.52 . . . . 3.93 110.976 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.372 -0.823 . . . . 5.67 109.454 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.947 0 N-CA-C 111.869 -0.492 . . . . 12.44 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 t -106.13 139.34 20.18 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.84 -0.43 . . . . 10.42 109.84 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.09 51.82 2.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.756 2.304 . . . . 9.74 112.592 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.51 -42.61 96.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 8.29 110.368 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -83.11 14.67 3.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.599 -0.728 . . . . 5.94 111.5 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m170 54.67 -123.74 2.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 6.43 111.163 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 69.79 -56.07 0.58 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.406 0.683 . . . . 4.54 110.592 -176.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -123.53 98.4 5.83 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.743 -0.465 . . . . 1.67 109.743 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 1.43 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 2.39 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.69 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.26 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.62 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 1.31 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 2.32 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.73 112.677 -170.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 2.17 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.38 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 1.12 108.536 173.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.517 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.52 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 2.39 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' HG2' ' HB2' ' A' ' 17' ' ' SER . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 1.5 110.014 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.504 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.97 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.8 111.273 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.74 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.94 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 3.3 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.66 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 2.17 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 1.26 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.559 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 3.37 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 3.34 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.83 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.559 ' CD ' ' HZ1' ' A' ' 34' ' ' LYS . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 1.15 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.594 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.91 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 1.09 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 1.18 111.379 177.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 2.18 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.594 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 1.09 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.657 ' HH ' ' HZ2' ' A' ' 53' ' ' LYS . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 1.06 111.26 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.563 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.2 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 1.38 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 1.13 109.2 175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HZ2' ' HH ' ' A' ' 45' ' ' TYR . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 2.33 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 3.01 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 1.06 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 1.17 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.98 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 1.35 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 1.25 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.617 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 4.45 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.784 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 1.38 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.603 ' O ' HG11 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 2.17 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.617 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.64 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 2.0 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.784 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 2.05 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.443 HG22 ' HB3' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 1.4 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 2.11 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.563 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 1.24 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 1.26 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 1.56 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.61 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 2.16 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.95 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.84 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 2.04 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 1.0 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 1.42 108.93 172.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.94 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 3.39 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.76 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.71 106.357 167.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.54 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 1.5 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.76 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.41 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.521 ' O ' HD21 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 1.73 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 1.28 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.521 HD21 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 2.0 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 3.24 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 1.25 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.679 HG12 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.55 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.416 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.59 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 2.3 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.64 111.399 -177.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.95 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.415 ' HB2' HG23 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 1.41 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.679 ' CD1' HG12 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 1.3 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 1.33 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.508 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 2.3 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.6 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 1.0 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 1.21 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.508 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.97 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.416 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 2.05 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 1.21 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.514 ' C ' ' H ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.84 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 1.15 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' H ' ' C ' ' A' ' 124' ' ' TYR . 6.5 m -66.62 62.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.89 111.042 166.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -176.29 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.952 -0.467 . . . . 3.3 111.091 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 m 67.85 45.37 1.41 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.886 0.85 . . . . 3.93 110.263 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.247 0.948 0 CA-C-N 114.941 -1.027 . . . . 5.67 109.423 175.159 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.853 -0.499 . . . . 12.44 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 18.8 t -79.3 126.87 80.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.141 -0.318 . . . . 10.42 110.141 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 6.2 Cg_exo -76.14 72.24 5.41 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.709 2.273 . . . . 9.74 111.883 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.2 -28.05 66.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 8.29 110.672 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -147.81 82.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.247 0.546 . . . . 5.94 110.288 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -78.54 -48.83 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.39 -0.596 . . . . 6.43 109.39 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -169.86 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 4.54 109.517 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.37 63.16 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 1.67 110.225 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.431 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 1.43 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 2.39 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.599 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.69 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.431 ' CB ' HD22 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.26 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.62 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 1.31 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 2.32 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.73 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 2.17 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.38 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 1.12 108.724 173.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.52 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 2.39 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 1.5 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.97 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.8 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.74 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.519 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 1.42 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.94 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 3.3 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.66 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 2.17 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 1.26 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 3.37 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.498 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 3.34 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.83 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.619 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 1.15 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.91 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 ' CG1' HD23 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.09 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 1.18 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 2.18 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 1.09 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 1.06 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.2 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.686 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 1.38 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 1.13 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.686 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 2.33 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 3.01 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 1.06 109.849 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 1.17 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.98 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 1.35 111.496 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 1.25 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.488 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 4.45 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.592 ' O ' HG13 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 1.38 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.549 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 2.17 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.64 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.407 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 43.1 t60 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 2.0 109.434 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.663 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 2.05 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.559 HG22 ' HB3' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 1.4 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.481 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 2.11 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 1.24 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 1.26 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD11 HD23 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 1.56 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.61 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 2.16 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.95 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.84 111.534 -170.158 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 2.04 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 1.0 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.545 ' HB2' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 1.42 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.402 ' O ' HD22 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.94 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 3.39 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.545 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.71 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.54 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 1.5 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.785 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.41 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 1.73 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.785 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 1.28 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 2.0 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 3.24 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 1.25 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 ' CG1' HD13 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.481 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.55 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.446 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.663 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 2.3 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.481 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.64 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.95 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.407 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 1.41 109.738 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.405 ' CG1' ' HA ' ' A' ' 110' ' ' LYS . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 1.3 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 1.33 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.498 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 2.3 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.425 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.6 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 1.0 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 1.21 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.97 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 2.05 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 119' ' ' ALA . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 1.21 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.561 ' C ' ' H ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.84 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 1.15 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.561 ' H ' ' C ' ' A' ' 124' ' ' TYR . 10.4 m -39.6 -31.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.89 113.389 173.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -55.71 -28.04 53.6 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.467 0.173 . . . . 3.3 111.467 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 m 51.09 70.53 0.52 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.985 0.421 . . . . 3.93 110.949 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.003 -0.999 . . . . 5.67 110.586 -174.484 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.795 -0.522 . . . . 12.44 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 60.2 m -124.62 94.81 43.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 10.42 110.716 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.51 -170.4 0.51 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.987 2.458 . . . . 9.74 112.065 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.5 70.88 0.59 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.772 -0.649 . . . . 8.29 111.078 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -65.82 154.53 38.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 5.94 111.054 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -112.71 154.7 25.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.336 -0.393 . . . . 6.43 109.959 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -103.92 -73.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.595 -0.275 . . . . 4.54 111.083 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -134.52 70.65 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 1.67 110.38 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 1.43 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.605 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 2.39 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.69 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD22 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.26 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.605 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.62 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 1.31 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 2.32 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.73 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 2.17 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.38 111.197 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 1.12 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.52 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 2.39 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.501 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 1.5 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.97 111.903 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.8 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.74 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.504 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 1.42 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.94 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 3.3 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.66 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 2.17 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 3.37 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 3.34 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' N ' HD21 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.83 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 1.15 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.498 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.91 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 1.09 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 1.18 111.58 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.472 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 2.18 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 1.09 110.055 179.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.644 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 1.06 111.779 -178.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.2 111.413 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 1.38 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 1.13 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 2.33 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 3.01 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 1.06 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.644 ' HG1' ' HH ' ' A' ' 45' ' ' TYR . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 1.17 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.98 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 1.35 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 1.25 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 4.45 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.606 ' O ' HG13 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 1.38 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 2.17 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.64 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 2.0 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.606 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 2.05 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.552 ' CG2' ' HB2' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 1.4 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.514 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 2.11 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 1.24 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.438 ' HB3' ' O ' ' A' ' 75' ' ' GLU . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 1.26 110.025 175.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD22 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 1.56 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.61 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 2.16 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.95 109.363 171.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.84 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 2.04 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 1.0 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 1.42 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.94 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 3.39 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.71 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.54 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 1.5 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.41 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.599 HG22 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 1.73 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.568 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.552 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 1.28 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.457 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 2.0 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 3.24 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 1.25 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.701 HG12 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.55 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.447 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.476 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.591 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 2.3 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.466 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.64 111.329 -176.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.95 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 1.41 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.701 ' CD1' HG12 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 1.3 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 1.33 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 2.3 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.6 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 1.0 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.576 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 1.21 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.97 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 2.05 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 1.21 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.574 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.84 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 1.15 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.574 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m -56.67 -17.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.89 110.967 168.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -54.08 -38.73 65.62 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.8 -0.636 . . . . 3.3 110.324 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.3 m -83.03 88.91 6.85 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.129 -0.693 . . . . 3.93 109.129 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.759 -0.655 . . . . 5.67 110.618 -174.78 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.874 -0.491 . . . . 12.44 111.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 33.0 t -143.81 103.52 4.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.689 0.281 . . . . 10.42 110.407 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.07 48.57 2.86 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.919 2.413 . . . . 9.74 112.369 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 68.82 -65.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.512 0.725 . . . . 8.29 111.584 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -70.46 115.55 9.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.216 -0.447 . . . . 5.94 110.572 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -79.15 140.89 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.122 -0.49 . . . . 6.43 110.068 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -84.76 157.19 21.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.829 -0.623 . . . . 4.54 110.387 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 61.52 44.55 9.12 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.816 0.698 . . . . 1.67 110.385 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 1.43 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.679 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 2.39 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.69 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.528 ' CB ' HD22 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.26 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.62 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 1.31 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 2.32 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.528 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.73 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 2.17 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.38 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 1.12 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.52 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 2.39 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.529 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 27.8 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' O ' HD12 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 1.5 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.97 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.595 HD12 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.8 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.74 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 1.42 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.401 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.94 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 3.3 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.66 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.51 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 2.17 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.545 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 1.26 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 3.37 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.532 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 3.34 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.545 HD21 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.83 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 1.15 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.91 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 1.09 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 1.18 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 2.18 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 1.09 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 1.06 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.2 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 1.38 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 1.13 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 2.33 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 3.01 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 1.06 109.608 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.45 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 1.17 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.98 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 1.35 111.51 171.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 1.25 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 4.45 109.681 175.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.526 ' O ' HG22 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 1.38 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' HG11 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 2.17 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.64 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.474 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 2.0 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 2.05 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.5 HG22 ' HB3' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 1.4 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 2.11 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 1.24 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 1.26 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.494 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.44 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 1.56 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.61 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 2.16 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.494 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.95 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HA ' ' HB1' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.84 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 2.04 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 1.0 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 1.42 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.94 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 3.39 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.625 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.877 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.71 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.54 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 1.5 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.625 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.41 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.877 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 1.73 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.5 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 1.28 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.6 HD21 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 2.0 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.495 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 3.24 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 1.25 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.547 ' H ' HG12 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.55 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.466 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 2.3 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.64 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.95 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 1.41 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 1.3 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 1.33 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 2.3 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.6 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.554 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 1.0 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 1.21 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.554 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.97 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 2.05 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' ALA . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 1.21 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.536 ' C ' ' H ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.84 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 1.15 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.536 ' H ' ' C ' ' A' ' 124' ' ' TYR . 21.2 m -45.76 -35.43 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.89 110.314 165.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -85.42 88.85 7.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.322 -0.622 . . . . 3.3 109.322 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 p -61.4 144.3 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 3.93 111.11 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.6 -0.714 . . . . 5.67 109.922 -179.587 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.936 -0.466 . . . . 12.44 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.4 m -86.61 116.73 67.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.613 0.244 . . . . 10.42 110.564 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 114.98 4.19 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.271 1.981 . . . . 9.74 112.074 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.68 -38.35 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.205 -0.665 . . . . 8.29 109.205 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.44 66.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.408 -0.815 . . . . 5.94 109.302 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -76.38 83.32 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.473 -0.785 . . . . 6.43 109.439 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.801 ' HD1' ' HH ' ' A' ' 112' ' ' TYR . 56.5 m-70 67.41 -78.15 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.707 -0.679 . . . . 4.54 109.592 -171.245 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -147.43 135.57 21.45 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.587 -1.264 . . . . 1.67 107.587 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 1.43 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.705 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 2.39 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.69 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.504 ' CB ' HD22 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.26 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.62 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 1.31 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 2.32 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.73 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 2.17 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.38 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD12 HD11 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 1.12 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.52 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HA ' ' CD ' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 2.39 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 1.5 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.97 111.938 -177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.8 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.74 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 1.42 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.94 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 3.3 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.66 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 2.17 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 1.26 111.45 -174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.426 ' HA ' HD11 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 3.37 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 3.34 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.83 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.643 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 1.15 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.91 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 1.09 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 1.18 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.417 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 2.18 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.495 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 1.09 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 1.06 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.2 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 1.38 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 1.13 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 2.33 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 3.01 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.504 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 1.06 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 1.17 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.98 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 1.35 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 1.25 109.778 175.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.517 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 4.45 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.626 ' O ' HG13 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 1.38 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.534 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 2.17 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.64 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.521 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 2.0 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 2.05 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.545 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 1.4 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.545 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 2.11 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 1.24 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 1.26 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 1.56 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.61 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 2.16 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.95 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.84 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 2.04 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 1.0 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 1.42 107.793 170.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.94 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 3.39 110.858 -176.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.658 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.838 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.71 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.54 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 1.5 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.658 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.41 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.838 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 1.73 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.405 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 1.28 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD21 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 2.0 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 3.24 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 1.25 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.412 HG13 HD13 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.55 112.804 -173.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.497 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 2.3 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.451 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.64 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.529 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.95 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.801 ' HH ' ' HD1' ' A' ' 2' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 1.41 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 HG13 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 1.3 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 1.33 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 2.3 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.6 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 1.0 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.461 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 1.21 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.97 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 2.05 110.154 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 1.21 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.84 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 1.15 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m -44.19 -29.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.89 112.981 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -59.48 -33.18 71.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.242 0.544 . . . . 3.3 109.977 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -114.73 106.51 14.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 3.93 110.063 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.616 -0.707 . . . . 5.67 110.515 -177.189 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . 0.435 ' O ' ' HD3' ' A' ' -2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.103 -0.399 . . . . 12.44 112.103 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.1 p -98.1 108.14 45.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.576 0.227 . . . . 10.42 110.726 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' -4' ' ' GLY . 33.3 Cg_exo -60.72 147.21 95.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.777 2.318 . . . . 9.74 111.563 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' -2' ' ' PRO . 38.9 mt-10 73.44 -42.62 0.53 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.817 0.698 . . . . 8.29 111.648 -178.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.583 0.706 . . . . 5.94 110.668 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -124.62 -74.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.453 -0.794 . . . . 6.43 109.281 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.2 -168.54 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.832 -0.803 . . . . 4.54 108.832 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -77.1 106.24 8.68 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.77 -0.456 . . . . 1.67 109.77 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 1.43 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.609 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 2.39 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.424 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.69 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD22 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.26 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.62 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 1.31 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.47 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 2.32 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.73 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 2.17 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.38 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 1.12 108.669 172.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.52 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 2.39 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.578 ' O ' HD22 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 1.5 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.52 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.97 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.8 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.74 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 1.42 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.94 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 3.3 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.66 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 2.17 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 1.26 110.08 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HZ2' ' CD ' ' A' ' 38' ' ' GLU . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 3.37 110.531 178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 3.34 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' HB3' HD12 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.83 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.615 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 1.15 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.91 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 1.09 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 1.18 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 2.18 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.414 ' HE2' HD23 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 1.09 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.407 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 1.06 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.2 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 1.38 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 1.13 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 2.33 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 3.01 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 1.06 109.813 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 1.17 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.47 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.98 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HB3' HD11 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 1.35 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 1.25 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 4.45 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG13 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 1.38 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.56 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 2.17 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.64 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.551 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 9.5 t60 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 2.0 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.643 HG13 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 2.05 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.539 HG11 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 1.4 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.561 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB3' HG11 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 2.11 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 1.24 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.26 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 1.56 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.61 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 2.16 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.95 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.84 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 2.04 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 1.0 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 1.42 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.94 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 3.39 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.667 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.563 ' O ' HG22 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.71 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.604 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.54 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 1.5 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.667 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.41 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 1.73 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.423 ' HB3' HG23 ' A' ' 72' ' ' VAL . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 1.28 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 2.0 111.727 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 3.24 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 1.25 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.467 HG12 HD12 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.55 112.666 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.497 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.45 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.622 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 2.3 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.417 ' HB2' ' HZ1' ' A' ' 110' ' ' LYS . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.64 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 23.8 tp60 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.95 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.466 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 1.41 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.467 HD12 HG12 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 1.3 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 1.33 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.424 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.624 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 2.3 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.6 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 1.0 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.419 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 1.21 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.624 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.473 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.97 110.863 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.838 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 2.05 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 119' ' ' ALA . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 1.21 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.84 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 1.15 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.838 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m -117.26 -159.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.89 112.99 -148.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 11.3 t60 63.15 33.22 14.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.852 0.72 . . . . 3.3 110.864 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.9 m -85.14 -34.19 22.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.399 -0.819 . . . . 3.93 109.119 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.251 1.177 0 CA-C-N 114.847 -1.069 . . . . 5.67 109.491 177.336 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.34 -0.304 . . . . 12.44 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.3 m -79.52 122.84 84.27 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.621 0.211 . . . . 10.42 110.806 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.79 95.69 0.82 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.652 2.235 . . . . 9.74 111.421 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.73 152.34 24.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.544 . . . . 8.29 110.015 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -140.56 156.86 46.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.745 -0.661 . . . . 5.94 110.529 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -58.97 -72.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.462 -0.336 . . . . 6.43 110.226 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -137.21 -72.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.136 -0.691 . . . . 4.54 109.136 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -147.31 144.96 29.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.279 -1.008 . . . . 1.67 108.279 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 1.43 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.615 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 2.39 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.69 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.415 ' CB ' HD22 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.26 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.615 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.62 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 1.31 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.478 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 2.32 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.73 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 2.17 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.38 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 1.12 108.492 173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.52 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 2.39 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' O ' HD22 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' HD21 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 1.5 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.55 HD21 ' N ' ' A' ' 24' ' ' LEU . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.97 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.8 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.74 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 1.42 111.795 175.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.94 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 3.3 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.483 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.66 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 2.17 107.972 170.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 1.26 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HA ' HD11 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 3.37 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 3.34 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.406 HD11 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.83 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 1.15 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.486 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.91 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 1.09 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 1.18 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 2.18 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.486 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 1.09 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 1.06 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.2 113.198 -177.079 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 1.38 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.505 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 1.13 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 2.33 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 3.01 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 1.06 109.812 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.554 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 1.17 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.98 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 60' ' ' LEU . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 1.35 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 1.25 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.601 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 4.45 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.601 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.552 ' O ' HG13 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 1.38 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.5 ' HA ' HG13 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 2.17 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.64 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 2.0 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.552 HG13 ' O ' ' A' ' 67' ' ' ILE . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 2.05 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.551 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 1.4 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.551 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 2.11 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.421 ' HA ' HD13 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 1.24 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 1.26 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.529 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 1.56 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.61 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 2.16 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.529 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.95 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.428 ' HA ' ' HB1' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.84 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 2.04 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 1.0 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 84' ' ' LYS . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 1.42 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.44 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.94 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.445 ' HB2' HG13 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 3.39 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.71 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' O ' HG13 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.54 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 1.5 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.41 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.603 ' O ' HD21 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 1.73 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 1.28 110.96 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.701 ' O ' HD12 ' A' ' 113' ' ' ILE . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 2.0 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 3.24 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 1.25 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.543 HG11 ' H ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.543 ' H ' HG11 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.55 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 105' ' ' THR . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 2.3 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.64 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.46 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.7 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.95 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 1.41 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 101' ' ' LEU . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 1.3 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 1.33 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.46 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 2.3 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.6 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 1.0 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 1.21 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.97 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 2.05 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 1.21 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.537 ' C ' ' H ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.84 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 1.15 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.4 m -57.03 -11.51 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.89 112.224 171.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -97.06 -8.56 30.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.857 0.36 . . . . 3.3 110.561 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.0 m -136.1 102.06 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.671 -0.241 . . . . 3.93 111.184 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.188 -0.91 . . . . 5.67 111.136 177.202 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.796 -0.522 . . . . 12.44 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 44.1 t -149.59 121.96 4.29 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 10.42 110.307 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -77.7 1.14 9.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.833 2.356 . . . . 9.74 112.237 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.94 -16.09 34.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.235 -0.438 . . . . 8.29 110.18 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.7 101.55 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.143 -0.688 . . . . 5.94 109.143 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -84.35 115.8 22.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.667 -0.697 . . . . 6.43 110.829 -174.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.91 -65.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.395 -0.82 . . . . 4.54 110.231 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -144.05 97.82 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 1.67 110.701 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 7' ' ' SER . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 1.43 108.988 177.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.646 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 2.39 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.441 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.407 ' HB2' ' O ' ' A' ' 4' ' ' THR . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.69 113.442 -176.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.439 ' CB ' HD22 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.26 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.62 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.568 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 1.31 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.53 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 2.32 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.73 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 2.17 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.38 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 1.12 108.865 173.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.52 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 2.39 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.656 ' O ' HD21 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 1.5 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.567 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.557 HD11 ' N ' ' A' ' 24' ' ' LEU . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.97 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.656 HD21 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.8 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.74 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.427 ' HE3' ' O ' ' A' ' 36' ' ' GLU . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 1.42 112.892 178.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.94 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 3.3 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.66 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 2.17 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 1.26 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HA ' HD11 ' A' ' 37' ' ' LEU . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 3.37 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 3.34 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.427 ' O ' ' HE3' ' A' ' 27' ' ' MET . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD11 ' HA ' ' A' ' 34' ' ' LYS . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.83 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.637 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 1.15 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.763 ' HD2' ' HH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.91 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 1.09 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.637 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 1.18 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 2.18 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.763 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 1.09 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 1.06 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.2 112.899 -177.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.497 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 1.38 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 1.13 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.497 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 2.33 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 3.01 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 1.06 109.865 177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.442 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 1.17 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.53 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.98 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 1.35 111.563 174.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 1.25 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.537 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 4.45 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.612 ' O ' HG13 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 1.38 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.569 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 2.17 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.64 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.437 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 17.3 t60 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 2.0 108.497 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 2.05 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 1.4 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 2.11 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 1.24 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 1.26 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 1.56 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.61 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 2.16 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.95 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.84 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 2.04 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 1.0 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 1.42 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.94 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.436 ' HG3' HG13 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 3.39 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.693 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.71 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.54 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 1.5 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.649 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.41 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.693 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 1.73 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 1.28 111.184 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.448 HD21 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 2.0 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 3.24 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 1.25 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.537 HG11 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.537 ' H ' HG11 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.55 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.483 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 2.3 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.513 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.64 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.95 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.437 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 1.41 110.095 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 1.3 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 1.33 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 2.3 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.45 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.6 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 1.0 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.469 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 1.21 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.97 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HD2' HD21 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 2.05 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 1.21 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.52 ' C ' ' H ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.84 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 1.15 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 124' ' ' TYR . 6.3 m -44.39 90.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.89 111.917 169.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.7 t60 173.73 56.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.347 -0.983 . . . . 3.3 108.347 -173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.9 m 64.79 74.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.75 . . . . 3.93 110.268 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.21 -0.9 . . . . 5.67 110.561 -179.814 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.767 -0.533 . . . . 12.44 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 p -130.68 83.49 61.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 120.676 0.274 . . . . 10.42 110.281 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.86 -65.47 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.502 2.135 . . . . 9.74 111.419 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 47.05 58.6 4.65 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.935 0.772 . . . . 8.29 111.716 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -70.52 117.81 12.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.721 -0.672 . . . . 5.94 110.679 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -100.41 0.95 40.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.835 -0.62 . . . . 6.43 109.588 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 64.67 37.82 7.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.992 -1.004 . . . . 4.54 109.731 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 60.28 90.12 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.711 -1.131 . . . . 1.67 111.778 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.461 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 1.43 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 2.39 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.461 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.69 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.41 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.26 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.62 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 1.31 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 2.32 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.73 112.861 -171.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 2.17 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.38 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 1.12 108.769 173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.52 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 2.39 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 1.5 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.97 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.8 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.74 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 1.42 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.94 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 3.3 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.66 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 2.17 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 1.26 110.933 -176.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 3.37 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 3.34 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.83 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.578 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 1.15 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.91 111.216 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 1.09 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 1.18 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 2.18 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 1.09 110.355 174.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.4 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 1.06 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.456 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.2 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.656 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 1.38 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 1.13 109.953 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.656 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 2.33 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.438 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 3.01 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.5 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 1.06 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 1.17 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.482 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.98 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD12 ' O ' ' A' ' 56' ' ' ALA . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 1.35 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 1.25 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 4.45 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.423 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.76 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 1.38 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 HD21 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 2.17 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 65' ' ' ARG . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.64 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 2.0 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.76 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 2.05 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.404 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 1.4 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.762 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 2.11 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.452 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 1.24 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 1.26 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.762 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 1.56 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.61 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 2.16 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.95 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.84 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 2.04 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 1.0 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 1.42 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.94 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 3.39 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.744 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.71 106.709 165.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.54 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 1.5 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.744 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.41 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.47 HG23 HD12 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 1.73 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.632 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 1.28 110.7 -179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 2.0 111.078 178.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.632 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 3.24 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 1.25 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.545 HG12 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.55 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.521 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.444 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.544 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 2.3 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.64 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.521 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.95 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.414 ' HB2' HG23 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 1.41 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.545 ' CD1' HG12 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 1.3 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 1.33 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 2.3 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.6 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 1.0 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.509 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 1.21 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.564 ' SG ' HD21 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.97 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 2.05 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 119' ' ' ALA . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 1.21 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.84 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 1.15 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.524 ' H ' ' C ' ' A' ' 124' ' ' TYR . 31.0 m -49.29 -31.59 5.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.89 110.313 164.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -83.57 50.72 1.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 122.001 0.905 . . . . 3.3 109.708 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -154.47 48.48 0.6 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.442 -0.947 . . . . 3.93 108.442 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.183 -0.917 . . . . 5.67 110.129 -177.115 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.802 -0.519 . . . . 12.44 111.802 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 17.8 p -74.6 119.32 76.07 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.86 0.33 . . . . 10.42 110.279 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.35 72.75 2.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.05 2.5 . . . . 9.74 112.814 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -102.74 115.24 30.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 8.29 109.963 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -149.79 149.73 30.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.314 -0.403 . . . . 5.94 110.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.507 ' CE1' HG22 ' A' ' 4' ' ' THR . 30.7 t60 -119.38 40.89 3.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.089 -0.708 . . . . 6.43 109.089 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -84.4 -46.3 11.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.694 -0.685 . . . . 4.54 110.642 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.457 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 -92.72 90.2 6.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.206 0.527 . . . . 1.67 110.981 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.507 HG22 ' CE1' ' A' ' 1' ' ' HIS . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 1.43 109.119 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 2.39 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.69 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.414 ' CB ' HD22 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.26 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.577 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.62 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 1.31 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 2.32 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.73 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 2.17 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.38 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 1.12 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.52 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 2.39 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.538 ' O ' HD22 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.488 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 1.5 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.97 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.8 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.74 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.41 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 1.42 112.021 176.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.94 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 3.3 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.66 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 2.17 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.53 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 1.26 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 3.37 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 3.34 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.41 ' O ' ' HE2' ' A' ' 27' ' ' MET . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.83 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.596 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 1.15 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.518 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.91 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 1.09 111.415 178.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.596 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 1.18 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.422 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 2.18 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.518 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 1.09 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.468 ' HH ' HG21 ' A' ' 57' ' ' THR . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 1.06 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.2 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.488 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 1.38 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 1.13 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.499 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 2.33 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 3.01 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 1.06 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.499 ' HG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 1.17 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.98 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 60' ' ' LEU . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 1.35 111.67 174.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 1.25 110.017 176.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.476 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 4.45 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.457 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 1.38 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.573 ' HA ' HG11 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 2.17 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.64 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 2.0 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 2.05 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 68' ' ' LEU . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 1.4 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.43 ' HB2' HG11 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 2.11 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 1.24 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 1.26 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 1.56 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.61 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 2.16 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.95 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.84 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 2.04 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 1.0 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 1.42 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.94 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 3.39 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.737 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.879 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.71 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.54 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 1.5 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.41 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.879 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 1.73 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 1.28 109.622 173.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.417 HD12 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 2.0 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 3.24 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 1.25 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.607 HG12 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.607 ' H ' HG12 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.55 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.485 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.437 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 2.3 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.524 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.64 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.485 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.95 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 1.41 109.713 178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.441 HD12 HG13 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 1.3 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 1.33 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.418 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 2.3 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.552 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.6 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 1.0 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.55 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 1.21 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.97 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.55 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 2.05 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 1.21 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.577 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.84 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 1.15 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.577 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m -60.0 -7.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.89 111.771 168.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 31.5 t-80 -67.21 77.39 0.15 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.075 0.464 . . . . 3.3 110.915 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -124.87 144.24 50.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.108 -0.496 . . . . 3.93 110.126 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.478 -0.773 . . . . 5.67 110.378 -179.35 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.906 -0.478 . . . . 12.44 111.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 16.5 m -76.71 153.15 83.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.408 -0.219 . . . . 10.42 110.408 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.39 -60.21 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.384 2.056 . . . . 9.74 111.993 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 56.95 48.94 14.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.063 0.459 . . . . 8.29 111.748 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -112.94 -60.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 5.94 109.819 174.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 55.75 55.8 6.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.954 -0.566 . . . . 6.43 110.908 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.525 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 67.1 m170 -84.19 78.48 9.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.678 -0.692 . . . . 4.54 110.181 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.42 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 65.63 98.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.249 -0.887 . . . . 1.67 111.294 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 1.43 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.455 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 2.39 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.69 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.436 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.26 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.62 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.494 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 1.31 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.487 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 2.32 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 13' ' ' LEU . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.73 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 2.17 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.38 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 1.12 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.52 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 2.39 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.53 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 1.5 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.97 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.525 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.8 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.74 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.531 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 1.42 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.94 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 3.3 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.66 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 2.17 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.444 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 1.26 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 3.37 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 3.34 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.531 ' O ' ' HE2' ' A' ' 27' ' ' MET . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.83 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 1.15 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.91 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 1.09 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 1.18 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 2.18 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.413 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 1.09 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.979 ' HH ' HG22 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 1.06 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.2 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 1.38 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 1.13 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 2.33 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 3.01 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.501 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 1.06 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.979 HG22 ' HH ' ' A' ' 45' ' ' TYR . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 1.17 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.98 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 1.35 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' HE3' HG21 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 1.25 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.487 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 4.45 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.624 ' O ' HG13 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 1.38 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.55 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 2.17 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.64 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.594 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 12.8 t60 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 2.0 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 2.05 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.513 HG22 ' HB3' ' A' ' 100' ' ' ALA . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 1.4 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.579 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 2.11 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 1.24 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 1.26 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.579 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 1.56 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.61 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 2.16 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.95 109.641 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.479 ' HB2' HD12 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.84 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 2.04 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 1.0 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 1.42 108.462 172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.94 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 3.39 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.677 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.498 ' O ' HG21 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.71 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.54 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 1.5 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.41 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.498 HG21 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 1.73 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.513 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 1.28 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 2.0 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 3.24 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 1.25 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.439 ' CG1' HD13 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.55 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.437 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 2.3 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.64 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.95 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.594 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 1.41 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.439 HD13 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 1.3 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 1.33 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 2.3 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.6 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 1.0 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 1.21 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.97 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.404 ' HD2' HD21 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 2.05 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 1.21 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' C ' ' H ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.84 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.47 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 1.15 119.932 -149.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.515 ' H ' ' C ' ' A' ' 124' ' ' TYR . 17.1 m -62.49 45.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.89 111.088 164.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.47 ' H ' ' C ' ' A' ' 125' ' ' GLY . 28.0 t-80 -82.0 141.31 33.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.936 -0.574 . . . . 3.3 110.07 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.81 41.84 0.59 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.025 0.441 . . . . 3.93 111.004 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.42 ' HB3' ' CE1' ' A' ' 127' ' ' HIS . 15.7 t . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.581 -0.896 . . . . 5.67 108.581 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 12.44 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' SER . . . . . 0.432 ' HB3' ' CB ' ' A' ' 0' ' ' PHE . 37.7 m -150.64 85.8 5.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.861 0.33 . . . . 10.42 110.585 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.76 100.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.871 2.381 . . . . 9.74 112.644 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 54.26 52.63 12.24 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.507 -0.769 . . . . 8.29 110.963 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.432 ' CB ' ' HB3' ' A' ' -3' ' ' SER . 74.6 t80 -93.74 117.99 30.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.943 0.401 . . . . 5.94 111.085 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -130.57 12.73 5.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 6.43 109.774 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.416 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 15.0 t60 71.82 140.46 0.05 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.028 -0.987 . . . . 4.54 109.988 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 60.22 54.59 3.96 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.67 109.774 -170.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 1.43 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.714 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 2.39 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.69 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' CB ' HD22 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.26 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.62 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 1.31 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.481 ' CE1' ' HA3' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 2.32 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.73 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 2.17 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.408 ' HE1' HD13 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.38 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 1.12 108.992 174.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.52 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 2.39 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 1.5 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD11 ' N ' ' A' ' 24' ' ' LEU . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.97 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.8 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.74 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.428 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 1.42 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.94 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 3.3 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.66 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 2.17 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 1.26 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 3.37 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 3.34 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD23 ' N ' ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.83 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.65 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 1.15 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.431 ' HB3' HD13 ' A' ' 24' ' ' LEU . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.91 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 1.09 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 1.18 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 2.18 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 1.09 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 1.06 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.2 112.269 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.406 ' HG3' ' HB1' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 1.38 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HB1' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 1.13 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 2.33 109.739 -178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 3.01 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 1.06 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 1.17 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.98 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 56' ' ' ALA . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 1.35 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 1.25 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.481 ' HA3' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 4.45 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.646 ' O ' HG13 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 1.38 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.545 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 2.17 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.64 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 2.0 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.646 HG13 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 2.05 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG2' ' HB2' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 1.4 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.495 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 2.11 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 1.24 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 1.26 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 1.56 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.61 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 2.16 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 83' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.95 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.84 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 2.04 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 1.0 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.449 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 1.42 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.94 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 3.39 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.654 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.71 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.54 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 1.5 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.41 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 1.73 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.559 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 1.28 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.444 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 2.0 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 3.24 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 1.25 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.538 HG12 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.55 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.595 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 2.3 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HZ2' ' HB3' ' A' ' 110' ' ' LYS . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.64 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.95 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.416 ' OH ' ' HB3' ' A' ' 2' ' ' HIS . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 1.41 109.613 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.538 ' CD1' HG12 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 1.3 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 1.33 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.544 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 2.3 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.6 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 1.0 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.407 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 1.21 111.329 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.544 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.97 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 2.05 108.265 168.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.438 HD11 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 1.21 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.558 ' C ' ' H ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.84 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 1.15 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.558 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.3 m -47.27 -25.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.89 111.713 169.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -64.96 -22.43 67.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.282 -0.417 . . . . 3.3 111.359 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.5 m 61.63 67.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 3.93 110.063 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.547 -0.739 . . . . 5.67 111.019 -177.823 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.893 -0.483 . . . . 12.44 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.2 m -93.71 128.31 42.36 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.571 0.224 . . . . 10.42 110.425 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.99 17.12 1.36 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.787 2.324 . . . . 9.74 112.871 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 62.9 -85.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.292 0.637 . . . . 8.29 111.911 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -160.51 113.41 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.681 0.277 . . . . 5.94 110.485 -175.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -78.17 124.3 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.093 -0.706 . . . . 6.43 109.093 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -79.66 66.24 5.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.819 -0.628 . . . . 4.54 111.613 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 58.36 87.16 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.396 -0.82 . . . . 1.67 111.684 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 1.43 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 2.39 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.69 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.494 ' CB ' HD22 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.26 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.535 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.62 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 1.31 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.408 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 2.32 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.494 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.73 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 2.17 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.38 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.422 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 1.12 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.52 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 2.39 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.435 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 1.5 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.97 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.8 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.74 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 1.42 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.94 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 3.3 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.66 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 2.17 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.558 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 1.26 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 3.37 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 3.34 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.558 HD22 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.83 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.567 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 1.15 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.531 ' HZ2' ' HB2' ' A' ' 40' ' ' LYS . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.91 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 1.09 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 1.18 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.48 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 2.18 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.512 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 1.09 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.42 ' HH ' HG21 ' A' ' 57' ' ' THR . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 1.06 110.966 176.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.2 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 1.38 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 1.13 109.948 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 2.33 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 3.01 110.951 176.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 1.06 109.84 177.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.58 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 1.17 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.98 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 60' ' ' LEU . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 1.35 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 1.25 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 4.45 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.654 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 1.38 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.662 ' O ' HG11 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 2.17 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.64 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 2.0 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG11 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 2.05 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 1.4 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 2.11 111.778 -168.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.556 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 1.24 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 1.26 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 1.56 110.98 177.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.61 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 2.16 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.95 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.84 111.155 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 2.04 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 1.0 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 1.42 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.409 ' O ' HD22 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.94 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 3.39 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.487 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.832 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.71 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.54 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 1.5 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.41 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.832 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 1.73 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 1.28 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.579 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 2.0 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 3.24 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 1.25 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.602 HG11 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.602 ' H ' HG11 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.55 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.456 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.456 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 2.3 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.64 112.239 -177.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.95 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . 0.407 ' HB2' HG23 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 1.41 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.405 HD12 HG12 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 1.3 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 1.33 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 2.3 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.6 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 1.0 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.489 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 1.21 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.484 ' SG ' HD21 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.97 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 2.05 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 1.21 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.566 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.84 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 1.15 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.566 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m -51.58 -35.86 17.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.89 110.709 167.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -84.1 89.34 7.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.314 -0.624 . . . . 3.3 109.314 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.1 m -61.05 98.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.304 0.573 . . . . 3.93 109.923 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.207 -0.902 . . . . 5.67 110.542 -174.1 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.851 -0.5 . . . . 12.44 111.851 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.5 t 64.06 86.7 0.14 Allowed Pre-proline 0 C--O 1.234 0.247 0 C-N-CA 122.982 0.513 . . . . 10.42 110.889 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.97 -177.99 1.85 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.721 2.281 . . . . 9.74 111.407 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.17 87.03 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.52 -0.548 . . . . 8.29 109.52 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -80.52 141.78 34.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.576 -0.738 . . . . 5.94 111.375 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -154.04 94.51 1.75 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.115 -0.948 . . . . 6.43 108.598 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -59.67 -71.0 0.14 Allowed 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.094 -0.957 . . . . 4.54 110.686 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.87 82.63 1.91 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.368 0.604 . . . . 1.67 110.531 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 1.43 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 2.39 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.541 ' HA ' HD21 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.69 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.26 114.773 -178.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.62 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 1.31 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 2.32 111.63 -177.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.73 113.348 -173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 2.17 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.38 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 1.12 109.001 174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.52 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 2.39 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.558 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 1.5 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.558 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD11 ' N ' ' A' ' 24' ' ' LEU . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.97 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.8 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.74 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.443 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 1.42 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.94 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 3.3 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.66 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 2.17 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' O ' HD22 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 1.26 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 3.37 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.739 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 3.34 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' O ' ' HE2' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD22 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.83 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 1.15 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.91 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 1.09 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 1.18 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 2.18 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 1.09 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.802 ' HH ' ' HG1' ' A' ' 57' ' ' THR . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 1.06 110.597 175.481 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.44 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.2 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 1.38 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 1.13 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 2.33 109.409 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 3.01 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.433 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 1.06 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.802 ' HG1' ' HH ' ' A' ' 45' ' ' TYR . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 1.17 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.98 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 ' HB3' HD11 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 1.35 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 1.25 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.599 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 4.45 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.604 ' O ' HG22 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 1.38 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 2.17 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.64 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 2.0 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.662 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 2.05 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 1.4 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.44 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 2.11 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 1.24 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 1.26 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' CD2' HG23 ' A' ' 97' ' ' VAL . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 1.56 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.61 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 2.16 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.95 108.213 171.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.84 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 2.04 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 1.0 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.484 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 1.42 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.94 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.439 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 3.39 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.484 ' HB2' ' HB3' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HG21 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.71 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.681 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.54 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 1.5 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.41 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.529 HG21 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 1.73 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.681 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 1.28 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.408 HD21 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 2.0 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 3.24 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 1.25 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.476 HG12 HD12 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.473 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.55 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.662 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 2.3 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.473 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.64 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.95 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 1.41 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.476 HD12 HG12 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 1.3 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 1.33 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.739 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 2.3 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.6 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 1.0 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 1.21 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.97 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.586 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 2.05 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 1.21 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.563 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.84 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 1.15 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.563 ' H ' ' C ' ' A' ' 124' ' ' TYR . 2.6 p -48.64 -36.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.89 111.038 169.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -85.63 77.29 9.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.72 -0.474 . . . . 3.3 109.72 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.1 m -92.29 -36.84 12.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.337 0.589 . . . . 3.93 110.008 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.505 -0.76 . . . . 5.67 109.876 178.563 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.806 -0.518 . . . . 12.44 111.806 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.1 m 70.14 93.85 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 122.976 0.51 . . . . 10.42 111.759 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.9 65.99 3.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.092 2.528 . . . . 9.74 111.255 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -82.03 116.97 21.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.827 -0.624 . . . . 8.29 111.489 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.69 -21.05 30.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.695 -0.854 . . . . 5.94 108.695 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -124.01 130.32 52.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.646 -1.161 . . . . 6.43 108.529 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -78.2 63.79 3.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.962 0.411 . . . . 4.54 111.292 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 51.31 57.6 6.43 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.189 -0.914 . . . . 1.67 110.967 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 1.43 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.738 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 2.39 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.536 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.69 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.46 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.26 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.62 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.499 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 1.31 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 2.32 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.454 HD22 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.73 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 11' ' ' THR . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 2.17 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.437 ' HE1' HD12 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.38 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.437 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 1.12 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.52 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 2.39 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.553 ' O ' HD22 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.558 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 1.5 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.526 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.623 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.553 HD22 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.97 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.8 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.74 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.623 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 1.42 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.94 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 3.3 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.66 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 2.17 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.453 ' HB2' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 1.26 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.429 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 3.37 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.581 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 3.34 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.83 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.635 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 1.15 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.563 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.91 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 1.09 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 1.18 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 2.18 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.492 ' HH ' ' HD2' ' A' ' 40' ' ' LYS . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 1.09 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 1.06 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.2 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 1.38 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 1.13 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 2.33 109.424 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 3.01 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 1.06 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 1.17 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.98 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 HD12 ' HE1' ' A' ' 15' ' ' TRP . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 1.35 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 57' ' ' THR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 1.25 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.587 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.456 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 4.45 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG22 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 1.38 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 2.17 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.64 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 7.4 t60 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 2.0 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.64 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 2.05 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.588 ' CG2' ' HB3' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 1.4 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 2.11 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 1.24 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 1.26 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.594 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 1.56 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.61 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 2.16 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.95 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.84 110.665 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 2.04 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 1.0 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.426 ' HB3' ' HB2' ' A' ' 92' ' ' GLU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 1.42 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.94 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' HB2' HG11 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 3.39 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.47 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.874 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.71 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.47 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.54 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 1.5 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.41 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.874 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 1.73 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.588 ' HB3' ' CG2' ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 1.28 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 2.0 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 3.24 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 1.25 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.45 HG12 HD12 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . 0.501 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.55 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.469 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.64 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 2.3 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.501 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.64 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.95 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 1.41 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 HG12 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 1.3 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 1.33 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.42 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 2.3 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.6 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 1.0 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.454 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 1.21 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . 0.421 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.97 111.216 176.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HB3' ' HZ2' ' A' ' 122' ' ' LYS . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 2.05 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 119' ' ' ALA . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 1.21 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.558 ' O ' HG12 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.84 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.444 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 1.15 119.43 -148.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 124' ' ' TYR . 30.3 m -66.73 40.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.89 111.468 169.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 125' ' ' GLY . 17.6 t-80 -88.24 -17.23 31.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.818 0.342 . . . . 3.3 110.665 -174.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.1 p -82.43 177.69 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 3.93 111.14 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.655 -0.688 . . . . 5.67 110.388 -179.133 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.996 -0.442 . . . . 12.44 111.996 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.3 m -111.83 98.53 41.97 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.657 0.265 . . . . 10.42 110.513 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.11 -23.12 18.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.592 2.195 . . . . 9.74 112.763 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -110.48 39.07 2.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 8.29 110.566 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' PHE . . . . . 0.464 ' CD2' ' HB2' ' A' ' 2' ' ' HIS . 6.1 t80 -70.83 -36.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 5.94 109.997 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t60 51.14 55.61 9.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.358 0.599 . . . . 6.43 110.21 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 0' ' ' PHE . 10.1 t-80 -101.78 94.09 5.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 4.54 110.101 -175.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 59.53 40.41 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.644 -0.707 . . . . 1.67 111.167 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 1.43 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 2.39 112.726 -172.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.69 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.431 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.26 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.586 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.62 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 1.31 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.448 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 2.32 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.73 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 2.17 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.38 111.415 -177.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 1.12 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.52 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 2.39 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.466 ' HG3' ' OG ' ' A' ' 17' ' ' SER . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 17' ' ' SER . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 1.5 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.407 ' N ' HD11 ' A' ' 24' ' ' LEU . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.97 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.8 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.74 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 36' ' ' GLU . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 1.42 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.94 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 3.3 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.66 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 2.17 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.42 ' O ' HD21 ' A' ' 37' ' ' LEU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 1.26 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.584 ' HZ1' ' CD ' ' A' ' 38' ' ' GLU . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 3.37 109.527 175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 3.34 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.51 ' O ' ' HE2' ' A' ' 27' ' ' MET . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.83 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.646 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 1.15 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.459 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.91 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 1.09 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 1.18 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 2.18 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 1.09 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 1.06 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.2 112.794 -175.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 1.38 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 1.13 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 2.33 110.175 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 3.01 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.494 ' O ' HD12 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 1.06 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.414 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 1.17 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.448 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.98 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 HD12 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 1.35 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 1.25 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 4.45 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.741 ' O ' HG22 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 1.38 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.564 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 2.17 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.64 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 2.0 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.741 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 2.05 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 68' ' ' LEU . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 1.4 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.595 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 2.11 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 1.24 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 1.26 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.595 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 1.56 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.61 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 2.16 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.95 109.673 178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.84 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 2.04 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 1.0 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 1.42 108.711 172.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.94 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 3.39 110.385 178.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.768 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.494 ' O ' HG21 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.71 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.54 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 1.5 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.768 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.41 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.494 HG21 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 1.73 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.444 ' HB2' HG23 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 1.28 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.482 HD21 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 2.0 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 3.24 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 1.25 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.491 HG13 HD13 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.55 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.542 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 2.3 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.457 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.64 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.95 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 1.41 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.491 HD13 HG13 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 1.3 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 1.33 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 2.3 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.6 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 1.0 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 1.21 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.97 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 2.05 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 1.21 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.541 ' C ' ' H ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.84 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 1.15 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.541 ' H ' ' C ' ' A' ' 124' ' ' TYR . 4.0 t -31.13 -57.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.89 111.097 169.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 58.59 55.18 4.94 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.904 0.859 . . . . 3.3 110.329 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 50.7 m -130.53 93.79 3.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.871 -1.059 . . . . 3.93 109.429 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.448 -0.787 . . . . 5.67 110.039 -178.288 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.22 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 0.96 110.722 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 1.67 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.641 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.14 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD23 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.02 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.04 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 0.69 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 1.5 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.13 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 1.69 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.518 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 0.31 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.24 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 1.91 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.729 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 0.95 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.33 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.06 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.24 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 0.92 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.44 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 2.69 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.63 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 1.65 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 0.59 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 2.97 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 2.82 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.22 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 0.49 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.34 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.39 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.45 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.23 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 0.68 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 0.58 111.723 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.11 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 0.74 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 0.43 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 1.62 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 2.49 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 0.37 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 0.51 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.77 110.378 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.365 172.037 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 0.67 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 3.8 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.81 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 1.71 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.22 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 1.76 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 1.46 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 0.8 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 0.7 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 0.73 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 68' ' ' LEU . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.98 111.014 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.12 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 1.54 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.37 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 1.52 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 0.92 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 0.83 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.6 110.583 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 2.96 111.058 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.08 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.06 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 0.93 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.11 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 0.97 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 0.63 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 1.4 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 2.48 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 0.64 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.571 ' H ' HG13 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.03 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 104' ' ' VAL . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 1.81 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.14 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.69 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 ' HG2' ' A' ' 110' ' ' LYS . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 0.72 109.751 174.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 0.63 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 1.62 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.56 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 0.65 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 0.46 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.47 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 1.5 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 60' ' ' LEU . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 0.54 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.28 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 0.86 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' TYR . 15.1 m . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.53 112.662 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.405 0.145 . . . . 1.22 111.274 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 0.96 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 1.67 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.14 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.02 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.04 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 0.69 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 1.5 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.13 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 1.69 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.35 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 0.31 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.24 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 1.91 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.716 ' O ' HD23 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.95 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.33 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.06 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.24 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE3' HD22 ' A' ' 37' ' ' LEU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 0.92 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.44 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 2.69 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.63 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 1.65 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 0.59 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 2.97 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 2.82 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 32' ' ' LYS . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.22 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 0.49 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.34 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 0.39 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 119' ' ' ALA . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.45 111.319 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 1.23 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 0.68 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 0.58 110.889 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.11 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 0.74 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 0.43 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 1.62 109.369 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 2.49 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.37 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 0.51 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.77 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 0.67 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 3.8 109.626 174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 0.81 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 1.71 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.22 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 1.76 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 1.46 112.175 -166.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 0.8 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 1.43 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.7 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 0.73 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.98 110.783 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.12 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 1.54 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.37 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.27 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 1.52 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 0.92 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 0.83 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.6 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 2.96 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.08 106.963 169.154 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HB2' HG11 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.06 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 0.93 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.11 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' LEU . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 0.97 110.179 175.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 0.63 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 1.4 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 2.48 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 0.64 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.548 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.03 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 104' ' ' VAL . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' VAL . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 1.81 110.733 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.14 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.69 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 0.92 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 104' ' ' VAL . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.72 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 0.63 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 1.62 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.56 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 0.65 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 0.46 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.47 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 1.5 109.444 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' LEU . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 0.54 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.28 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 0.86 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 94' ' ' LYS . 3.5 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.53 110.183 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.837 0.351 . . . . 1.22 111.401 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 0.96 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 1.67 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.14 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.02 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.04 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 0.69 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 1.5 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.13 112.678 -170.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 1.69 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.35 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 0.31 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.24 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 1.91 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 0.95 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.33 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.06 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.24 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.463 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 0.92 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.44 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 2.69 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.63 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 1.65 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 0.59 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 2.97 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 2.82 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HE1' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.22 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 0.49 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.34 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.39 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 0.45 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.643 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 0.68 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 0.58 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.11 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 0.74 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 0.43 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 1.62 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 2.49 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 0.37 109.473 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 0.51 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.77 109.797 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 0.62 111.549 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 0.67 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 3.8 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 0.81 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 1.71 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.22 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 1.76 109.715 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 109' ' ' LYS . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 1.46 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.871 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 0.8 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 1.43 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.7 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.73 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 0.98 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.12 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 1.54 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.37 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.27 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 1.52 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 0.92 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 0.83 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.6 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 2.96 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.06 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 0.93 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.11 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 0.97 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.871 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.63 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 1.4 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 2.48 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 0.64 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.03 113.041 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.532 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.623 ' HB3' HG23 ' A' ' 71' ' ' VAL . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 1.81 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.14 111.619 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.69 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.92 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.72 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 0.63 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 1.62 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.56 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 0.65 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 0.46 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.47 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 1.5 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 0.54 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.28 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 0.86 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.4 m . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.53 111.424 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 67' ' ' ILE . 4.2 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.859 0.362 . . . . 1.22 110.558 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 0.96 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 1.67 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.14 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 13' ' ' LEU . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.02 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.04 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 0.69 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.617 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 1.5 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.13 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 1.69 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.35 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 0.31 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.24 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 1.91 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.95 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.33 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.06 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.24 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 0.92 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.44 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 2.69 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.63 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 1.65 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 0.59 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 2.97 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 2.82 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.22 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 0.49 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.34 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 0.39 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 1.23 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 0.68 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 0.58 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.11 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 0.74 113.103 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 0.43 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 1.62 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 2.49 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 0.37 109.956 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 0.51 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.77 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.458 172.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 0.67 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 3.8 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.706 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.81 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 1.71 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.22 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 1.76 114.735 166.349 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 1.46 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 76' ' ' LYS . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 0.8 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 1.43 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 0.7 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 0.73 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 0.98 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.12 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 1.54 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.37 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.27 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 1.52 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 0.92 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 0.83 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.444 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.6 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 2.96 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.752 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.08 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.06 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 0.93 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.11 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 0.97 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 0.63 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 1.4 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 2.48 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 0.64 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.588 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.588 ' H ' HG13 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.03 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 104' ' ' VAL . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.477 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.81 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.14 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 83.0 mm-40 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.69 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 0.92 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 0.72 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 0.63 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 1.62 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.56 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 0.65 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.46 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.47 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 1.5 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 0.54 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.28 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 0.86 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.53 110.681 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.743 -0.465 . . . . 1.22 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 0.96 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.67 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.14 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.02 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.04 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 0.69 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 1.5 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 16' ' ' LEU . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.13 112.677 -170.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 1.69 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.35 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 13' ' ' LEU . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 0.31 108.536 173.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.24 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 1.91 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.747 ' O ' HD23 ' A' ' 24' ' ' LEU . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.95 110.014 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.33 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.06 111.273 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.24 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.92 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.44 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 2.69 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.63 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 1.65 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 2.97 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 2.82 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.22 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 0.49 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.34 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.39 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' A' ' 122' ' ' LYS . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.45 111.379 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 1.23 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 0.68 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 0.58 111.26 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.11 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 0.74 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 0.43 109.2 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 1.62 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 2.49 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 0.37 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 0.51 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.77 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 0.62 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 0.67 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 3.8 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.812 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 0.81 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 1.71 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.22 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 1.76 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.812 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 1.46 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 0.8 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 1.43 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.7 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.73 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 HG22 ' A' ' 97' ' ' VAL . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.98 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.12 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 1.54 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.37 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.27 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 1.52 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 0.92 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 0.83 108.93 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.6 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 2.96 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 97' ' ' VAL . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.08 106.357 167.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.06 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 0.93 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.759 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.11 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 0.97 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 0.63 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 1.4 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 2.48 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 0.64 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.03 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 1.81 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 113' ' ' ILE . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.14 111.399 -177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.69 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 0.92 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.669 ' CD1' HG11 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 0.72 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 0.63 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.507 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 1.62 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.56 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 0.65 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.46 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.507 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.47 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HD3' HD22 ' A' ' 42' ' ' LEU . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 1.5 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 0.54 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.28 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 0.86 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.5 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.53 111.042 166.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.801 0.334 . . . . 1.22 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 0.96 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.67 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.14 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.469 ' CB ' HD23 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.02 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.04 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 0.69 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 1.5 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 16' ' ' LEU . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.13 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 1.69 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 0.31 108.724 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.24 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 1.91 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 0.95 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.33 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.06 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.24 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.92 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.44 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 2.69 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.63 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 1.65 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 0.59 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 2.97 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 2.82 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.22 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 0.49 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.34 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CG1' HD21 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.45 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 1.23 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 0.68 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 0.58 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.11 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 0.74 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.43 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 1.62 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 2.49 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 0.37 109.849 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.51 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.77 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 0.62 111.496 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 0.67 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 3.8 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.6 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 0.81 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 1.71 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.22 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 1.76 109.434 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.675 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 1.46 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 0.8 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 1.43 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 0.7 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.98 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 1.54 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.37 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.27 111.534 -170.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 1.52 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 0.92 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 0.83 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.6 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 2.96 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.08 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.06 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 0.93 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.11 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 0.97 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.808 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 0.63 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 1.4 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 2.48 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.511 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.03 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.675 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 1.81 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.14 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.69 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 0.92 109.738 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CG1' ' A' ' 104' ' ' VAL . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 0.72 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 0.63 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 1.62 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.56 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 0.65 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 0.46 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.47 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 1.5 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 60' ' ' LEU . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 0.54 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.28 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 0.86 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 124' ' ' TYR . 10.4 m . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.53 113.389 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.004 0.43 . . . . 1.22 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.14 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.02 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.04 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 0.69 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 1.5 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.13 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 1.69 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.403 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.35 111.197 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.24 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 1.91 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.95 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.33 111.903 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.06 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.24 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.52 ' SD ' ' HG3' ' A' ' 40' ' ' LYS . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 0.92 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.44 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 2.69 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.63 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 1.65 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 0.59 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 2.97 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 2.82 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.22 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 0.49 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.34 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.39 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 42' ' ' LEU . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 0.45 111.58 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.23 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 0.68 110.055 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 0.58 111.779 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD11 ' CE3' ' A' ' 15' ' ' TRP . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.11 111.413 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 0.74 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 0.43 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 1.62 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 2.49 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 0.37 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 0.51 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.77 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 0.62 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 0.67 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 3.8 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.81 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 1.71 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.22 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 1.76 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.643 ' HA ' ' HG3' ' A' ' 109' ' ' LYS . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 1.46 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.738 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 0.8 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.738 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 1.43 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 0.7 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.73 110.025 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 0.98 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.12 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 1.54 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 83' ' ' LEU . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.37 109.363 171.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.27 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 1.52 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 0.92 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 0.83 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.6 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 2.96 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.08 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.06 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 0.93 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.11 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 0.97 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.63 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.451 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 1.4 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 2.48 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 0.64 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.03 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.643 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 1.81 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.14 111.329 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.69 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 0.92 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.743 ' CD1' HG11 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 0.72 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 0.63 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 1.62 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.56 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 0.65 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 0.46 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.47 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 1.5 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 0.54 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.28 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 0.86 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.53 110.967 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.255 0.55 . . . . 1.22 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 0.96 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.695 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 1.67 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.14 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.577 ' CB ' HD23 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.04 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 0.69 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 1.5 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.13 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 1.69 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 0.31 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.24 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 1.91 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 78.1 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD13 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 0.95 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.33 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.06 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.24 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.515 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 0.92 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 2.69 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.63 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 1.65 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.55 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 0.59 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 2.97 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 2.82 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 0.49 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.34 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.39 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 0.45 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 0.68 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 0.58 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.11 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 0.74 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 0.43 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 1.62 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 2.49 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 0.37 109.608 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 0.51 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.77 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 0.62 111.51 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 0.67 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 3.8 109.681 175.579 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 0.81 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 1.71 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.22 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 1.76 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 1.46 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 1.43 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.7 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 0.73 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.12 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 1.54 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.27 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 1.52 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 0.92 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 0.83 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.6 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 2.96 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.883 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.08 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.06 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 0.93 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.11 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.883 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.97 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 0.63 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 1.4 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 2.48 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 0.64 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.557 ' H ' HG13 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.03 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 1.81 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' HD12 ' A' ' 113' ' ' ILE . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.14 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.69 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.92 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 0.72 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 1.62 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.56 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 0.65 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 0.46 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.47 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 1.5 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 60' ' ' LEU . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 0.54 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.28 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 0.86 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 124' ' ' TYR . 21.2 m . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.53 110.314 165.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 107.587 -1.264 . . . . 1.22 107.587 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 0.96 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 1.67 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.14 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.561 ' CB ' HD23 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.04 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 0.69 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 1.5 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.13 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 1.69 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.35 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 HD12 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 0.31 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.24 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 1.91 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 92.0 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 0.95 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 44' ' ' TYR . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.33 111.938 -177.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.06 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.24 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 0.92 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.44 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 2.69 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.63 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 1.65 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 0.59 111.45 -174.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 2.97 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 2.82 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.22 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 0.49 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.34 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.39 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.45 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 1.23 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 0.68 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 0.58 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.11 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 0.74 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 0.43 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 1.62 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 2.49 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 0.37 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 0.51 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.77 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' GLU . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 0.67 109.778 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 3.8 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.619 ' O ' HG12 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 0.81 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 1.71 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.22 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 1.76 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 1.46 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 0.8 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 1.43 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.7 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.73 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.98 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.12 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 1.54 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.37 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.27 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 1.52 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 0.92 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 0.83 107.793 170.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.6 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 2.96 110.858 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.846 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.08 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.06 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 0.93 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.11 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.97 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 1.4 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 2.48 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 0.64 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 1.81 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.14 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.69 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.55 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 0.92 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 0.72 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.63 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 1.62 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.56 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 0.65 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 0.46 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.47 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.493 ' HD2' HD22 ' A' ' 42' ' ' LEU . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 1.5 110.154 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 0.54 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.28 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 0.86 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m . . . . . 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.53 112.981 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.77 -0.456 . . . . 1.22 109.77 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 0.96 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 1.67 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.14 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.02 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.04 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 0.69 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 1.5 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.13 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 1.69 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.35 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 13' ' ' LEU . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 0.31 108.669 172.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.24 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 1.91 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.706 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 0.95 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.33 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.24 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 0.92 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.44 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 2.69 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.63 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 1.65 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 0.59 110.08 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 2.97 110.531 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 2.82 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 0.49 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.34 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.39 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 0.45 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 1.23 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 0.68 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 0.58 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.11 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 0.74 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 0.43 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 1.62 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 2.49 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 0.37 109.813 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 0.51 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.77 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 0.62 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 0.67 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 3.8 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 0.81 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 1.71 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.22 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 27.5 t-80 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 1.76 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 1.46 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 0.8 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 1.43 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 0.7 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.73 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.98 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.12 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 1.54 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.37 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.27 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 1.52 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 0.92 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 0.83 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.6 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 2.96 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.553 ' O ' HG23 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.08 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.06 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 0.93 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.11 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 0.97 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 0.63 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 113' ' ' ILE . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 1.4 111.727 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 2.48 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 0.64 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.03 112.666 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.621 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 1.81 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.14 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 6.2 tp-100 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.69 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.49 ' HE2' ' CE1' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 0.92 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 0.72 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.63 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 1.62 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.56 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 0.65 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.46 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.626 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.47 110.863 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.834 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 1.5 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 60' ' ' LEU . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 0.54 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.28 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 0.86 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.834 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.53 112.99 -148.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 108.279 -1.008 . . . . 1.22 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.96 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 1.67 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.14 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.02 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.04 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 0.69 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 1.5 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.13 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 1.69 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 13' ' ' LEU . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 0.31 108.492 173.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.24 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 1.91 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HG3' HD22 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 0.95 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.33 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.06 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.24 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 0.92 111.795 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.44 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 2.69 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.63 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 1.65 107.972 170.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 0.59 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 2.97 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.22 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 0.49 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.34 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 0.39 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.45 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 0.68 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 0.58 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.11 113.198 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 0.74 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 0.43 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 2.49 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 0.37 109.812 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 0.51 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.77 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 0.62 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.67 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 3.8 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 0.81 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 1.71 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.22 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 1.76 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 68' ' ' LEU . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 1.46 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.8 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 1.43 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.7 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.73 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 0.98 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.12 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 1.54 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.77 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.37 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.651 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.27 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 1.52 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 0.92 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 0.83 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.463 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.6 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB2' HG12 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 2.96 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.59 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.08 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.593 ' O ' HG12 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.06 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 0.93 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.11 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 0.97 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 0.63 110.96 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 1.4 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 2.48 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 0.64 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 ' N ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.597 ' N ' HG22 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.03 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HE2' ' A' ' 110' ' ' LYS . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 1.81 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.14 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.4 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.69 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 0.92 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 110' ' ' LYS . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 0.72 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 0.63 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 1.62 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.56 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 0.65 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 0.46 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.47 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 1.5 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 60' ' ' LEU . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 0.54 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.28 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 0.86 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.4 m . . . . . 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.53 112.224 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.92 0.391 . . . . 1.22 110.701 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 0.96 108.988 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 1.67 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.14 113.442 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.488 ' CB ' HD23 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.02 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.04 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 0.69 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.5 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.13 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 1.69 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 13' ' ' LEU . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 0.31 108.865 173.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.24 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 0.95 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 20' ' ' GLN . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.33 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.06 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.24 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 0.92 112.892 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.44 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 2.69 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.63 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 1.65 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 0.59 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 2.97 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 2.82 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 5' ' ' LEU . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.22 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 0.49 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' OH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.34 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD22 ' HD2' ' A' ' 122' ' ' LYS . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.45 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 1.23 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 0.68 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 0.58 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.11 112.899 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 0.74 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 0.43 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 1.62 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 2.49 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 0.37 109.865 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 0.51 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.77 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.62 111.563 174.149 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 0.67 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 3.8 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.81 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 1.71 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.22 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 1.76 108.497 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 1.46 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 0.8 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 1.43 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 0.7 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 0.73 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.98 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.12 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 1.54 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.37 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.27 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 1.52 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 0.92 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 0.83 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.6 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG3' HG12 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 2.96 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.08 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.06 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 0.93 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.11 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 0.97 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 0.63 111.184 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 1.4 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 2.48 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 0.64 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.556 ' H ' HG13 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.03 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 1.81 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.14 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.69 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 0.92 110.095 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.423 HD11 HG11 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 0.72 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 0.63 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 1.62 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.56 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 0.65 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 0.46 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.666 ' HD2' HD22 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 1.5 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 0.54 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.28 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 0.86 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.3 m . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.53 111.917 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 121.462 0.648 . . . . 1.22 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.96 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 1.67 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.482 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.14 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.02 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.04 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 0.69 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 1.5 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 16' ' ' LEU . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.13 112.861 -171.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 1.69 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.35 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 13' ' ' LEU . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 0.31 108.769 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.24 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 1.91 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.762 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.95 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.33 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.06 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.24 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 0.92 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.44 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 2.69 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.63 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 1.65 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 0.59 110.933 -176.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 2.97 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 2.82 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.22 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 0.49 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.34 111.216 176.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.39 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 0.45 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 1.23 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HE2' HD21 ' A' ' 24' ' ' LEU . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 0.68 110.355 174.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 0.58 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.11 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 0.74 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 0.43 109.953 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 1.62 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 2.49 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 0.37 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 0.51 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.77 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 0.62 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 0.67 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 68' ' ' LEU . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 3.8 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 0.81 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD22 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 1.71 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.22 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 1.76 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 1.46 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' HB ' HD13 ' A' ' 101' ' ' LEU . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 0.8 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.766 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 1.43 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 0.7 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 0.73 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 0.98 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.12 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 1.54 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.37 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.27 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 1.52 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 0.92 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 0.83 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.6 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 2.96 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 97' ' ' VAL . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.08 106.709 165.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.06 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 0.93 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.11 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 HD13 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 0.97 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 0.63 110.7 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.443 HD13 ' HB ' ' A' ' 72' ' ' VAL . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 1.4 111.078 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.652 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 2.48 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 0.64 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.03 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 1.81 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.14 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.69 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.442 ' HB2' HG21 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 0.92 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.528 ' CD1' HG11 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 0.72 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 0.63 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 1.62 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.56 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 0.65 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 0.46 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 1.5 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 60' ' ' LEU . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 0.54 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.28 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 0.86 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 124' ' ' TYR . 31.0 m . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.53 110.313 164.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.206 0.527 . . . . 1.22 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 1.67 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.14 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.02 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.04 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 0.69 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 1.5 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.13 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 1.69 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.35 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 13' ' ' LEU . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 0.31 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.24 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 1.91 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.72 ' O ' HD23 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.95 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.33 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.06 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.24 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.92 112.021 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.44 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 2.69 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.63 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 1.65 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 2.97 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 2.82 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.22 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 0.49 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.34 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 24' ' ' LEU . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.415 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 0.45 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 1.23 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 0.68 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 0.58 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.11 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.74 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 0.43 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 1.62 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 2.49 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 0.37 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.458 ' OG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 0.51 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.77 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 0.62 111.67 174.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 123' ' ' ILE . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 0.67 110.017 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 3.8 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 0.81 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 1.71 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.22 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 1.76 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 1.46 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 0.8 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 1.43 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.7 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 0.73 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.12 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 1.54 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.37 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.27 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 1.52 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 0.92 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 0.83 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.6 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 2.96 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.06 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 0.93 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.11 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 0.97 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 0.63 109.622 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 1.4 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 2.48 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 0.64 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.611 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.03 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.535 ' H ' HG22 ' A' ' 104' ' ' VAL . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 1.81 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.14 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.69 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.495 ' HB2' HG21 ' A' ' 71' ' ' VAL . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 0.92 109.713 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.475 HD11 HG11 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 0.72 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 0.63 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 1.62 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.56 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 0.65 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 0.46 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.47 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 1.5 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 0.54 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.28 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 0.86 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.53 111.771 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.505 0.669 . . . . 1.22 111.294 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 0.96 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 24' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 1.67 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.14 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 13' ' ' LEU . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.02 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.04 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 0.69 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 1.5 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.13 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 1.69 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.35 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 0.31 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.24 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 1.91 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.708 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 0.95 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD21 ' HE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.33 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.24 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 0.92 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.44 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 2.69 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.63 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 1.65 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 0.59 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 2.97 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 2.82 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.22 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 0.49 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.34 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.39 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.45 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.711 ' HE2' HD21 ' A' ' 24' ' ' LEU . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 0.68 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' OH ' HG23 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 0.58 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.11 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.74 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 0.43 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 1.62 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 2.49 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 0.37 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.573 HG22 ' HE3' ' A' ' 61' ' ' LYS . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 0.51 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.77 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 0.62 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HE3' HG22 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 0.67 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.501 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 3.8 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 0.81 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 1.71 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.22 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' HE2' ' A' ' 112' ' ' TYR . 35.8 t-80 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 1.76 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.46 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 76' ' ' LYS . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 0.8 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 1.43 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 0.7 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 0.73 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 0.98 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.12 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 1.54 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 88' ' ' ALA . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.37 109.641 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.27 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 1.52 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 0.92 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 0.83 108.462 172.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.6 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 2.96 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.08 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.06 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 0.93 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.11 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 0.97 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 0.63 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 2.48 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 0.64 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.03 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 1.81 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.14 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.69 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.481 ' HE2' ' CE1' ' A' ' 70' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 0.92 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.494 HD11 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 0.72 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 0.63 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 1.62 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.56 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 0.65 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.46 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.47 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.594 ' HD2' HD22 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 1.5 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 60' ' ' LEU . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 0.54 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.28 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 0.86 119.932 -149.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.1 m . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.53 111.088 164.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.22 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 0.96 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 1.67 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.14 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.463 ' CB ' HD23 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.02 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.04 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 0.69 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 1.5 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.13 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 1.69 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.415 ' HE1' HD11 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD11 HD12 ' A' ' 13' ' ' LEU . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 0.31 108.992 174.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.24 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 1.91 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' O ' HD13 ' A' ' 24' ' ' LEU . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 0.95 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.33 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD21 HD11 ' A' ' 9' ' ' LEU . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.06 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.24 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 0.92 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.44 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 2.69 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.63 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 1.65 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 0.59 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 2.97 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 2.82 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.22 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 0.49 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.34 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 0.39 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 0.45 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 1.23 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' HE2' HD11 ' A' ' 24' ' ' LEU . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 0.68 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 0.58 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.11 112.269 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 0.74 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.43 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HA ' HD13 ' A' ' 48' ' ' LEU . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 1.62 109.739 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 2.49 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 0.37 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.51 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.77 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 123' ' ' ILE . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 0.62 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 0.67 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 3.8 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.81 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 1.71 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.22 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 1.76 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 1.46 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 0.8 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 1.43 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 0.7 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 0.73 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 83' ' ' LEU . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.98 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.12 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 80' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.37 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.27 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 1.52 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 0.92 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 0.83 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.6 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 2.96 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.08 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.06 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 0.93 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.11 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 0.97 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 0.63 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 1.4 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 2.48 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 0.64 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.61 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.03 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.496 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 1.81 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.14 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.69 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 0.92 109.613 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.61 ' CD1' HG11 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.72 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.542 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 1.62 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.56 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 0.65 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 0.46 111.329 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.542 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.47 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 1.5 108.265 168.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 0.54 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.28 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 0.86 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.3 m . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.53 111.713 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.416 0.626 . . . . 1.22 111.684 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 0.96 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 1.67 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.14 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.541 ' CB ' HD23 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.02 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.04 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 0.69 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 1.5 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.13 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 1.69 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.35 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 0.31 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.24 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 0.95 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.33 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.24 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.92 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.44 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 2.69 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.63 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 1.65 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 0.59 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 2.97 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 2.82 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.22 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 0.49 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.34 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 0.39 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 0.45 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 0.68 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 0.58 110.966 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.11 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 0.74 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 0.43 109.948 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 1.62 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 2.49 110.951 176.136 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 0.37 109.84 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 0.51 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.77 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 0.62 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 0.67 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 3.8 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.81 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 1.71 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.22 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 1.76 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 1.46 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 0.8 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 1.43 111.778 -168.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 0.7 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.73 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 97' ' ' VAL . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.98 110.98 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.12 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 1.54 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.37 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.27 111.155 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 1.52 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 0.92 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 0.83 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.6 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 2.96 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.843 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.08 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.06 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 0.93 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.11 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 0.97 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 0.63 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 1.4 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 2.48 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 0.64 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.6 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.6 ' H ' HG13 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.03 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 104' ' ' VAL . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.81 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.14 112.239 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.69 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.434 ' HB2' HG21 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 0.92 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 HG11 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 0.72 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 0.63 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 1.62 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.56 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 0.65 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.47 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 1.5 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 0.54 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.28 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 0.86 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m . . . . . 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.53 110.709 167.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.368 0.604 . . . . 1.22 110.531 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 0.96 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 1.67 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HA ' HD23 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.14 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.02 114.773 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 6' ' ' GLU . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.04 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 0.69 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 1.5 111.63 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HB3' HD12 ' A' ' 16' ' ' LEU . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.13 113.348 -173.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 1.69 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.35 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 13' ' ' LEU . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 0.31 109.001 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.24 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 1.91 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.444 ' O ' HD13 ' A' ' 24' ' ' LEU . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 0.95 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.33 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.06 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.24 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 0.92 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.44 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 2.69 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.63 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 1.65 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 0.59 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 2.97 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.753 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 2.82 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.22 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 0.49 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.34 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 0.39 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 0.45 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 0.68 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 0.58 110.597 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.11 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 0.74 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 0.43 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 1.62 109.409 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 2.49 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 0.37 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 0.51 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.77 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 0.62 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 0.67 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 3.8 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 0.81 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 1.71 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.22 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 1.76 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.674 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 1.46 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 0.8 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 1.43 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.7 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 0.73 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 83' ' ' LEU . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 0.98 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.12 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 1.54 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 80' ' ' LEU . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.37 108.213 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.27 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 1.52 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 0.92 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 0.83 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.6 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 2.96 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.08 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.06 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 0.93 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.11 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 0.97 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 0.63 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 1.4 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 2.48 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 0.64 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.638 HG11 HD11 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.522 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.03 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.674 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 1.81 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.14 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.69 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.92 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.638 HD11 HG11 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.63 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.753 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 1.62 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.56 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 0.65 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.46 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.47 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 1.5 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 0.54 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.28 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 0.86 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 94' ' ' LYS . 2.6 p . . . . . 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.53 111.038 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.89 0.376 . . . . 1.22 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 0.96 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.75 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 1.67 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.14 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.489 ' CB ' HD23 ' A' ' 13' ' ' LEU . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.02 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.04 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 0.69 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 1.5 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.13 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.69 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.35 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 0.31 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.24 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 1.91 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.76 ' O ' HD23 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 0.95 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.33 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.06 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.24 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 0.92 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.44 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 2.69 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.63 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 1.65 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 0.59 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 2.97 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 2.82 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.22 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 0.49 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.34 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.39 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.45 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.23 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 0.68 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 0.58 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.11 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 0.74 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 0.43 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 1.62 109.424 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 2.49 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 0.37 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.51 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.77 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 123' ' ' ILE . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 0.62 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 124' ' ' TYR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 0.67 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 3.8 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.81 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 1.71 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.22 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 26.9 t-80 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 1.76 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 1.46 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 0.8 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 1.43 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 0.7 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.73 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.98 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.12 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 1.54 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.37 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.27 110.665 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 1.52 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 0.92 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 0.83 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.6 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HB2' HG12 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 2.96 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.74 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.881 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.08 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.06 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 0.93 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.11 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.881 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 0.97 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 0.63 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 1.4 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 2.48 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 0.64 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . 0.531 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.03 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 1.81 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.14 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.69 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 0.92 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.72 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.63 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.416 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 1.62 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.56 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 0.65 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.46 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' CYS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HE3' ' HG3' ' A' ' 94' ' ' LYS . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.47 111.216 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 1.5 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 60' ' ' LEU . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 0.54 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.28 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 0.86 119.43 -148.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 124' ' ' TYR . 30.3 m . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.53 111.468 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.657 0.265 . . . . 1.22 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.96 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 37' ' ' LEU . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 1.67 112.726 -172.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.14 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.02 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.04 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 0.69 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 1.5 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.13 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 1.69 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TRP . . . . . 0.4 ' HE1' HD11 ' A' ' 60' ' ' LEU . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.35 111.415 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 0.31 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.24 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.91 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 0.95 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 20' ' ' GLN . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.33 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.06 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.24 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.92 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.44 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 2.69 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.63 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 1.65 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 0.59 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 2.97 109.527 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 2.82 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.22 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 0.49 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 0.39 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 0.45 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.23 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 0.68 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 0.58 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.11 112.794 -175.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 0.74 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 0.43 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 1.62 110.175 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 2.49 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 0.37 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 0.51 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.77 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 0.62 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 0.67 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 3.8 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 0.81 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 1.71 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.22 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 1.76 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 1.46 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 100' ' ' ALA . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 0.8 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.556 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 1.43 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.7 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 0.73 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 0.98 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.12 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 1.54 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.37 109.673 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.27 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 1.52 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 0.83 108.711 172.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.6 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 126' ' ' VAL . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 2.96 110.385 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.775 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.08 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.06 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 0.93 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.775 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.11 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 0.97 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.63 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 1.4 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 2.48 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 0.64 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.03 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 1.81 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.14 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.69 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.92 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . 0.598 HD11 HG11 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.72 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.63 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 1.62 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.56 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 0.65 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 0.46 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.47 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HD3' HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 1.5 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 0.54 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.28 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 0.86 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 124' ' ' TYR . 4.0 t . . . . . 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.53 111.097 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.141 -0.384 . . . . 12.2 112.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 10.9 t -119.92 113.1 34.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.08 -0.341 . . . . 10.23 110.08 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 75.57 4.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.752 2.302 . . . . 9.01 111.993 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.86 107.39 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 8.29 111.212 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -173.37 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.505 0.669 . . . . 5.37 109.294 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.508 ' HA ' HG23 ' A' ' 4' ' ' THR . 90.3 m-70 66.98 26.98 8.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.746 -1.116 . . . . 5.61 112.209 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -102.63 -35.82 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.895 -0.409 . . . . 3.83 109.895 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.58 41.57 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.052 -0.522 . . . . 1.22 110.64 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 HG23 ' HA ' ' A' ' 1' ' ' HIS . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 0.96 110.722 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 1.67 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.641 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.14 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD23 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.02 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.04 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 0.69 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 1.5 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.13 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 1.69 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 0.31 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.24 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 1.91 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.729 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 0.95 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.33 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.06 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.24 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 0.92 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.44 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 2.69 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.63 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 1.65 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 0.59 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 2.97 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 2.82 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.22 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 0.49 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.34 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.39 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.45 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.23 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 0.68 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 0.58 111.723 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.11 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 0.74 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 0.43 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 1.62 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 2.49 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 0.37 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 0.51 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.77 110.378 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.365 172.037 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 0.67 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 3.8 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.81 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 1.71 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.22 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 1.76 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 1.46 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 0.8 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 0.7 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 0.73 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 68' ' ' LEU . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.98 111.014 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.12 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 1.54 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.37 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 1.52 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 0.92 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 0.83 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.6 110.583 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 2.96 111.058 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.08 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.06 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 0.93 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.11 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 0.97 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 0.63 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 1.4 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 2.48 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 0.64 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.571 ' H ' HG13 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.03 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 104' ' ' VAL . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 1.81 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.14 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.69 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 ' HG2' ' A' ' 110' ' ' LYS . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 0.72 109.751 174.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 0.63 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 1.62 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.56 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 0.65 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 0.46 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.47 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 1.5 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 60' ' ' LEU . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 0.54 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.28 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 0.86 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' TYR . 15.1 m -57.28 -10.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.53 112.662 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -45.7 -67.65 0.26 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.488 0.493 . . . . 2.77 111.291 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 61.5 m 66.97 116.36 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.036 0.446 . . . . 3.63 111.923 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.539 -0.755 . . . . 5.56 111.145 178.201 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.236 -0.345 . . . . 12.2 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 26.5 m -137.44 88.75 16.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.579 0.228 . . . . 10.23 110.436 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.44 87.33 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.851 2.367 . . . . 9.01 111.553 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -102.51 74.19 1.36 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.931 0.396 . . . . 8.29 111.209 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -75.99 -48.4 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.282 -1.007 . . . . 5.37 108.282 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 52.55 59.58 4.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.842 -1.072 . . . . 5.61 111.88 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -123.21 121.95 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.514 -0.55 . . . . 3.83 109.514 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 58.45 37.4 25.68 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.532 0.52 . . . . 1.22 111.274 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 0.96 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 1.67 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.14 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.02 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.04 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 0.69 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 1.5 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.13 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 1.69 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.35 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 0.31 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.24 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 1.91 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.716 ' O ' HD23 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.95 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.33 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.06 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.24 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE3' HD22 ' A' ' 37' ' ' LEU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 0.92 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.44 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 2.69 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.63 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 1.65 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 0.59 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 2.97 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 2.82 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 32' ' ' LYS . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.22 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 0.49 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.34 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 0.39 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 119' ' ' ALA . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.45 111.319 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 1.23 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 0.68 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 0.58 110.889 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.11 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 0.74 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 0.43 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 1.62 109.369 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 2.49 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.37 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 0.51 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.77 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 0.67 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 3.8 109.626 174.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 0.81 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 1.71 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.22 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 1.76 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 1.46 112.175 -166.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 0.8 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 1.43 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.7 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 0.73 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.98 110.783 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.12 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 1.54 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.37 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.27 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 1.52 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 0.92 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 0.83 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.6 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 2.96 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.08 106.963 169.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HB2' HG11 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.06 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 0.93 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.11 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' LEU . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 0.97 110.179 175.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 0.63 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 1.4 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 2.48 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 0.64 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.548 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.03 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 104' ' ' VAL . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' VAL . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 1.81 110.733 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.14 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.69 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 0.92 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 104' ' ' VAL . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.72 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 0.63 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 1.62 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.56 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 0.65 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 0.46 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.47 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 1.5 109.444 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' LEU . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 0.54 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.28 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 0.86 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 94' ' ' LYS . 3.5 t -38.96 -52.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.53 110.183 168.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -79.18 80.05 5.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.018 -0.992 . . . . 2.77 108.757 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -75.08 -24.95 58.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.7 . . . . 3.63 111.276 -174.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.644 -0.693 . . . . 5.56 110.636 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.923 -0.471 . . . . 12.2 111.923 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.6 m -124.34 114.17 27.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.381 -0.229 . . . . 10.23 110.381 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.91 48.53 2.67 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.845 2.363 . . . . 9.01 111.983 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 50.8 mt-10 -101.24 88.36 3.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 8.29 111.512 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -96.53 87.42 4.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.646 -0.872 . . . . 5.37 108.646 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' -1' ' ' GLU . 91.9 m-70 -81.83 145.89 30.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.802 -0.635 . . . . 5.61 110.324 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.02 -166.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 3.83 110.071 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -67.78 73.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 1.22 111.401 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 0.96 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 1.67 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.14 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.02 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.04 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 0.69 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 1.5 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.13 112.678 -170.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 1.69 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.35 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 0.31 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.24 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 1.91 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 0.95 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.33 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.06 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.24 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.463 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 0.92 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.44 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 2.69 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.63 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 1.65 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 0.59 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 2.97 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 2.82 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HE1' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.22 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 0.49 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.34 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.39 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 0.45 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.643 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 0.68 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 0.58 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.11 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 0.74 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 0.43 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 1.62 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 2.49 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 0.37 109.473 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 0.51 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.77 109.797 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 0.62 111.549 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 0.67 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 3.8 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 0.81 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 1.71 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.22 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 1.76 109.715 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 109' ' ' LYS . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 1.46 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.871 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 0.8 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 1.43 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.7 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.73 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 0.98 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.12 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 1.54 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.37 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.27 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 1.52 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 0.92 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 0.83 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.6 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 2.96 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.06 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 0.93 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.11 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 0.97 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.871 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.63 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 1.4 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 2.48 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 0.64 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.03 113.041 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.623 ' HB3' HG23 ' A' ' 71' ' ' VAL . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 1.81 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.14 111.619 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.69 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.92 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.72 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 0.63 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 1.62 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.56 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 0.65 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 0.46 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.47 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 1.5 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 0.54 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.28 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 0.86 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.4 m -52.83 -22.24 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.53 111.424 169.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 52.2 t-80 -64.4 -16.81 63.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.153 -0.476 . . . . 2.77 110.955 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m 64.52 47.7 2.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.478 -0.783 . . . . 3.63 109.929 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.585 -0.734 . . . . 5.56 110.647 -178.588 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.748 -0.541 . . . . 12.2 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.9 m 59.34 74.25 0.6 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.981 0.42 . . . . 10.23 110.69 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 158.91 33.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 9.01 112.533 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 54.51 72.94 0.43 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.757 -0.656 . . . . 8.29 111.62 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.45 104.8 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.583 -0.735 . . . . 5.37 109.799 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.56 138.4 41.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.731 -0.668 . . . . 5.61 109.552 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -88.01 155.53 19.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.22 -0.446 . . . . 3.83 110.803 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 67' ' ' ILE . 4.2 m-85 58.22 62.71 1.93 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.989 0.806 . . . . 1.22 110.558 176.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 0.96 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 1.67 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.14 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 13' ' ' LEU . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.02 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.04 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 0.69 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.617 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 1.5 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.13 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 1.69 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.35 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 0.31 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.24 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 1.91 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.95 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.33 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.06 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.24 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 0.92 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.44 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 2.69 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.63 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 1.65 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 0.59 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 2.97 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 2.82 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.22 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 0.49 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.34 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 0.39 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 1.23 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 0.68 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 0.58 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.11 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 0.74 113.103 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 0.43 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 1.62 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 2.49 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 0.37 109.956 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 0.51 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.77 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.458 172.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 0.67 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 3.8 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.706 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.81 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 1.71 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.22 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 1.76 114.735 166.349 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 1.46 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 76' ' ' LYS . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 0.8 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 1.43 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 0.7 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 0.73 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 0.98 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.12 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 1.54 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.37 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.27 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 1.52 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 0.92 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 0.83 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.444 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.6 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 2.96 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.752 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.08 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.06 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 0.93 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.11 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 0.97 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 0.63 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 1.4 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 2.48 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 0.64 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.588 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.588 ' H ' HG13 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.03 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 104' ' ' VAL . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.477 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.81 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.14 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 83.0 mm-40 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.69 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 0.92 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 0.72 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 0.63 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 1.62 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.56 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 0.65 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.46 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.47 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 1.5 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 0.54 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.28 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 0.86 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m -56.3 -22.57 14.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.53 110.681 167.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 44.0 t-80 -62.29 123.96 19.62 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.486 -0.561 . . . . 2.77 109.486 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -73.32 93.18 1.88 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.192 0.52 . . . . 3.63 110.976 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.372 -0.823 . . . . 5.56 109.454 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.947 0 N-CA-C 111.869 -0.492 . . . . 12.2 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 t -106.13 139.34 20.18 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.84 -0.43 . . . . 10.23 109.84 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.09 51.82 2.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.756 2.304 . . . . 9.01 112.592 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.51 -42.61 96.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 8.29 110.368 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -83.11 14.67 3.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.599 -0.728 . . . . 5.37 111.5 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m170 54.67 -123.74 2.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 5.61 111.163 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 69.79 -56.07 0.58 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.406 0.683 . . . . 3.83 110.592 -176.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -123.53 98.4 5.83 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.743 -0.465 . . . . 1.22 109.743 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 0.96 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.67 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.14 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.02 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.04 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 0.69 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 1.5 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 16' ' ' LEU . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.13 112.677 -170.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 1.69 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.35 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 13' ' ' LEU . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 0.31 108.536 173.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.24 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 1.91 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.747 ' O ' HD23 ' A' ' 24' ' ' LEU . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.95 110.014 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.33 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.06 111.273 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.24 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.92 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.44 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 2.69 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.63 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 1.65 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 2.97 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 2.82 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.22 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 0.49 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.34 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.39 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' A' ' 122' ' ' LYS . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.45 111.379 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 1.23 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 0.68 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 0.58 111.26 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.11 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 0.74 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 0.43 109.2 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 1.62 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 2.49 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 0.37 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 0.51 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.77 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 0.62 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 0.67 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 3.8 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.812 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 0.81 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 1.71 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.22 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 1.76 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.812 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 1.46 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 0.8 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 1.43 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.7 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.73 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 HG22 ' A' ' 97' ' ' VAL . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.98 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.12 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 1.54 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.37 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.27 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 1.52 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 0.92 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 0.83 108.93 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.6 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 2.96 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 97' ' ' VAL . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.08 106.357 167.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.06 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 0.93 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.759 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.11 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 0.97 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 0.63 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 1.4 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 2.48 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 0.64 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.03 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 1.81 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 113' ' ' ILE . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.14 111.399 -177.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.69 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 0.92 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.669 ' CD1' HG11 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 0.72 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 0.63 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.507 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 1.62 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.56 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 0.65 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.46 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.507 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.47 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HD3' HD22 ' A' ' 42' ' ' LEU . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 1.5 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 0.54 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.28 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 0.86 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.5 m -66.62 62.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.53 111.042 166.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -137.89 -176.29 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.952 -0.467 . . . . 2.77 111.091 -176.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 m 67.85 45.37 1.41 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.886 0.85 . . . . 3.63 110.263 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.247 0.948 0 CA-C-N 114.941 -1.027 . . . . 5.56 109.423 175.159 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.853 -0.499 . . . . 12.2 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 18.8 t -79.3 126.87 80.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.141 -0.318 . . . . 10.23 110.141 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 6.2 Cg_exo -76.14 72.24 5.41 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.709 2.273 . . . . 9.01 111.883 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.2 -28.05 66.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 8.29 110.672 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -147.81 82.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.247 0.546 . . . . 5.37 110.288 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -78.54 -48.83 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.39 -0.596 . . . . 5.61 109.39 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -169.86 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 3.83 109.517 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.37 63.16 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 1.22 110.225 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 0.96 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.67 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.14 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.469 ' CB ' HD23 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.02 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.04 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 0.69 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 1.5 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 16' ' ' LEU . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.13 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 1.69 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 0.31 108.724 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.24 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 1.91 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 0.95 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.33 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.06 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.24 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.92 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.44 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 2.69 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.63 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 1.65 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 0.59 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 2.97 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 2.82 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.22 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 0.49 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.34 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CG1' HD21 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.45 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 1.23 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 0.68 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 0.58 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.11 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 0.74 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.43 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 1.62 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 2.49 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 0.37 109.849 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.51 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.77 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 0.62 111.496 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 0.67 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 3.8 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.6 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 0.81 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 1.71 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.22 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 1.76 109.434 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.675 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 1.46 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 0.8 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 1.43 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 0.7 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.98 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 1.54 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.37 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.27 111.534 -170.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 1.52 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 0.92 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 0.83 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.6 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 2.96 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.08 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.06 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 0.93 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.11 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 0.97 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.808 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 0.63 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 1.4 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 2.48 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.511 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.03 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.675 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 1.81 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.14 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.69 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 0.92 109.738 177.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CG1' ' A' ' 104' ' ' VAL . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 0.72 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 0.63 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 1.62 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.56 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 0.65 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 0.46 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.47 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 1.5 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 60' ' ' LEU . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 0.54 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.28 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 0.86 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 124' ' ' TYR . 10.4 m -39.6 -31.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.53 113.389 173.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -55.71 -28.04 53.6 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.467 0.173 . . . . 2.77 111.467 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 m 51.09 70.53 0.52 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.985 0.421 . . . . 3.63 110.949 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.003 -0.999 . . . . 5.56 110.586 -174.484 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.795 -0.522 . . . . 12.2 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 60.2 m -124.62 94.81 43.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 10.23 110.716 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.51 -170.4 0.51 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.987 2.458 . . . . 9.01 112.065 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.5 70.88 0.59 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.772 -0.649 . . . . 8.29 111.078 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -65.82 154.53 38.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 5.37 111.054 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -112.71 154.7 25.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.336 -0.393 . . . . 5.61 109.959 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -103.92 -73.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.595 -0.275 . . . . 3.83 111.083 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -134.52 70.65 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 1.22 110.38 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.14 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.02 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.04 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 0.69 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 1.5 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.13 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 1.69 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.403 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.35 111.197 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.24 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 1.91 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.95 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.33 111.903 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.06 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.24 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.52 ' SD ' ' HG3' ' A' ' 40' ' ' LYS . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 0.92 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.44 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 2.69 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.63 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 1.65 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 0.59 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 2.97 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 2.82 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.22 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 0.49 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.34 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.39 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 42' ' ' LEU . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 0.45 111.58 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.23 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 0.68 110.055 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 0.58 111.779 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD11 ' CE3' ' A' ' 15' ' ' TRP . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.11 111.413 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 0.74 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 0.43 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 1.62 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 2.49 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 0.37 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 0.51 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.77 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 0.62 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 0.67 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 3.8 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.81 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 1.71 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.22 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 1.76 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.643 ' HA ' ' HG3' ' A' ' 109' ' ' LYS . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 1.46 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.738 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 0.8 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.738 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 1.43 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 0.7 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.73 110.025 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 0.98 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.12 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 1.54 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 83' ' ' LEU . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.37 109.363 171.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.27 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 1.52 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 0.92 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 0.83 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.6 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 2.96 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.08 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.06 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 0.93 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.11 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 0.97 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.63 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.451 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 1.4 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 2.48 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 0.64 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.03 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.643 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 1.81 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.14 111.329 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.69 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 0.92 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.743 ' CD1' HG11 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 0.72 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 0.63 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 1.62 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.56 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 0.65 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 0.46 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.47 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 1.5 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 0.54 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.28 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 0.86 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m -56.67 -17.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.53 110.967 168.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -54.08 -38.73 65.62 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.8 -0.636 . . . . 2.77 110.324 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.3 m -83.03 88.91 6.85 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.129 -0.693 . . . . 3.63 109.129 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.759 -0.655 . . . . 5.56 110.618 -174.78 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.874 -0.491 . . . . 12.2 111.874 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 33.0 t -143.81 103.52 4.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.689 0.281 . . . . 10.23 110.407 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.07 48.57 2.86 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.919 2.413 . . . . 9.01 112.369 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 68.82 -65.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.512 0.725 . . . . 8.29 111.584 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -70.46 115.55 9.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.216 -0.447 . . . . 5.37 110.572 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -79.15 140.89 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.122 -0.49 . . . . 5.61 110.068 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -84.76 157.19 21.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.829 -0.623 . . . . 3.83 110.387 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 61.52 44.55 9.12 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.816 0.698 . . . . 1.22 110.385 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 0.96 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.695 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 1.67 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.14 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.577 ' CB ' HD23 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.04 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 0.69 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 1.5 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.13 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 1.69 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 0.31 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.24 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 1.91 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 78.1 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD13 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 0.95 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.33 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.06 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.24 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.515 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 0.92 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 2.69 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.63 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 1.65 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.55 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 0.59 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 2.97 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 2.82 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 0.49 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.34 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.39 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 0.45 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 0.68 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 0.58 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.11 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 0.74 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 0.43 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 1.62 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 2.49 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 0.37 109.608 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 0.51 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.77 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 0.62 111.51 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 0.67 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 3.8 109.681 175.579 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 0.81 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 1.71 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.22 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 1.76 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 1.46 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 1.43 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.7 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 0.73 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.12 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 1.54 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.27 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 1.52 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 0.92 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 0.83 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.6 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 2.96 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.883 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.08 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.06 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 0.93 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.11 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.883 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.97 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 0.63 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 1.4 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 2.48 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 0.64 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.557 ' H ' HG13 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.03 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 1.81 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' HD12 ' A' ' 113' ' ' ILE . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.14 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.69 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.92 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 0.72 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 1.62 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.56 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 0.65 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 0.46 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.47 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 1.5 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 60' ' ' LEU . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 0.54 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.28 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 0.86 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 124' ' ' TYR . 21.2 m -45.76 -35.43 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.53 110.314 165.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -85.42 88.85 7.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.322 -0.622 . . . . 2.77 109.322 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 p -61.4 144.3 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 3.63 111.11 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.6 -0.714 . . . . 5.56 109.922 -179.587 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.936 -0.466 . . . . 12.2 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.4 m -86.61 116.73 67.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.613 0.244 . . . . 10.23 110.564 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 114.98 4.19 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.271 1.981 . . . . 9.01 112.074 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.68 -38.35 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.205 -0.665 . . . . 8.29 109.205 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.44 66.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.408 -0.815 . . . . 5.37 109.302 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -76.38 83.32 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.473 -0.785 . . . . 5.61 109.439 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 67.41 -78.15 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.707 -0.679 . . . . 3.83 109.592 -171.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -147.43 135.57 21.45 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.587 -1.264 . . . . 1.22 107.587 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 0.96 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 1.67 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.14 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.561 ' CB ' HD23 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.04 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 0.69 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 1.5 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.13 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 1.69 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.35 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 HD12 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 0.31 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.24 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 1.91 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 92.0 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 0.95 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 44' ' ' TYR . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.33 111.938 -177.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.06 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.24 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 0.92 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.44 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 2.69 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.63 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 1.65 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 0.59 111.45 -174.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 2.97 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 2.82 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.22 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 0.49 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.34 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.39 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.45 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 1.23 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 0.68 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 0.58 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.11 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 0.74 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 0.43 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 1.62 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 2.49 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 0.37 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 0.51 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.77 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' GLU . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 0.67 109.778 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 3.8 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.619 ' O ' HG12 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 0.81 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 1.71 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.22 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 1.76 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 1.46 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 0.8 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 1.43 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.7 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.73 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.98 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.12 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 1.54 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.37 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.27 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 1.52 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 0.92 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 0.83 107.793 170.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.6 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 2.96 110.858 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.846 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.08 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.06 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 0.93 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.11 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.97 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 1.4 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 2.48 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 0.64 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 1.81 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.14 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.69 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.55 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 0.92 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 0.72 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.63 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 1.62 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.56 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 0.65 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 0.46 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.47 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.493 ' HD2' HD22 ' A' ' 42' ' ' LEU . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 1.5 110.154 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 0.54 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.28 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 0.86 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m -44.19 -29.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.53 112.981 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -59.48 -33.18 71.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.242 0.544 . . . . 2.77 109.977 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -114.73 106.51 14.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 3.63 110.063 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.616 -0.707 . . . . 5.56 110.515 -177.189 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -4' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' A' ' -2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.103 -0.399 . . . . 12.2 112.103 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.1 p -98.1 108.14 45.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.576 0.227 . . . . 10.23 110.726 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' -4' ' ' GLY . 33.3 Cg_exo -60.72 147.21 95.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.777 2.318 . . . . 9.01 111.563 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 73.44 -42.62 0.53 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.817 0.698 . . . . 8.29 111.648 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.583 0.706 . . . . 5.37 110.668 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -124.62 -74.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.453 -0.794 . . . . 5.61 109.281 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.2 -168.54 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.832 -0.803 . . . . 3.83 108.832 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -77.1 106.24 8.68 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.77 -0.456 . . . . 1.22 109.77 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 0.96 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 1.67 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.14 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.02 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.04 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 0.69 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 1.5 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.13 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 1.69 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.35 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 13' ' ' LEU . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 0.31 108.669 172.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.24 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 1.91 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.706 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 0.95 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.33 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.24 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 0.92 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.44 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 2.69 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.63 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 1.65 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 0.59 110.08 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 2.97 110.531 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 2.82 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 0.49 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.34 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.39 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 0.45 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 1.23 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 0.68 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 0.58 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.11 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 0.74 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 0.43 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 1.62 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 2.49 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 0.37 109.813 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 0.51 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.77 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 0.62 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 0.67 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 3.8 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 0.81 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 1.71 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.22 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 27.5 t-80 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 1.76 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 1.46 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 0.8 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 1.43 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 0.7 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.73 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.98 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.12 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 1.54 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.37 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.27 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 1.52 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 0.92 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 0.83 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.6 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 2.96 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.553 ' O ' HG23 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.08 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.06 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 0.93 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.11 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 0.97 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 0.63 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 113' ' ' ILE . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 1.4 111.727 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 2.48 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 0.64 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.03 112.666 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.621 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 1.81 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.14 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 6.2 tp-100 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.69 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.49 ' HE2' ' CE1' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 0.92 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 0.72 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.63 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 1.62 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.56 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 0.65 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.46 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.626 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.47 110.863 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.834 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 1.5 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 60' ' ' LEU . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 0.54 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.28 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 0.86 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.834 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m -117.26 -159.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.53 112.99 -148.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 11.3 t60 63.15 33.22 14.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.852 0.72 . . . . 2.77 110.864 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.9 m -85.14 -34.19 22.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.399 -0.819 . . . . 3.63 109.119 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.251 1.177 0 CA-C-N 114.847 -1.069 . . . . 5.56 109.491 177.336 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.34 -0.304 . . . . 12.2 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.3 m -79.52 122.84 84.27 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.621 0.211 . . . . 10.23 110.806 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.79 95.69 0.82 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.652 2.235 . . . . 9.01 111.421 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.73 152.34 24.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.544 . . . . 8.29 110.015 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -140.56 156.86 46.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.745 -0.661 . . . . 5.37 110.529 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -58.97 -72.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.462 -0.336 . . . . 5.61 110.226 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -137.21 -72.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.136 -0.691 . . . . 3.83 109.136 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -147.31 144.96 29.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.279 -1.008 . . . . 1.22 108.279 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.96 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 1.67 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.14 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.02 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.04 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 0.69 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 1.5 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.13 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 1.69 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 13' ' ' LEU . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 0.31 108.492 173.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.24 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 1.91 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HG3' HD22 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 0.95 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.33 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.06 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.24 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 0.92 111.795 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.44 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 2.69 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.63 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 1.65 107.972 170.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 0.59 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 2.97 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.22 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 0.49 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.34 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 0.39 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.45 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 0.68 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 0.58 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.11 113.198 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 0.74 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 0.43 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 2.49 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 0.37 109.812 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 0.51 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.77 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 0.62 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.67 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 3.8 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 0.81 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 1.71 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.22 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 1.76 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 68' ' ' LEU . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 1.46 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.8 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 1.43 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.7 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.73 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 0.98 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.12 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 1.54 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.77 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.37 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.651 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.27 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 1.52 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 0.92 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 0.83 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.463 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.6 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB2' HG12 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 2.96 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.59 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.08 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.593 ' O ' HG12 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.06 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 0.93 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.11 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 0.97 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 0.63 110.96 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 1.4 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 2.48 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 0.64 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 ' N ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.597 ' N ' HG22 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.03 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HE2' ' A' ' 110' ' ' LYS . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 1.81 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.14 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.4 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.69 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 0.92 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 110' ' ' LYS . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 0.72 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 0.63 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 1.62 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.56 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 0.65 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 0.46 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.47 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 1.5 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 60' ' ' LEU . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 0.54 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.28 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 0.86 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.4 m -57.03 -11.51 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.53 112.224 171.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -97.06 -8.56 30.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.857 0.36 . . . . 2.77 110.561 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.0 m -136.1 102.06 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.671 -0.241 . . . . 3.63 111.184 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.188 -0.91 . . . . 5.56 111.136 177.202 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.796 -0.522 . . . . 12.2 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 44.1 t -149.59 121.96 4.29 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 10.23 110.307 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -77.7 1.14 9.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.833 2.356 . . . . 9.01 112.237 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.94 -16.09 34.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.235 -0.438 . . . . 8.29 110.18 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.7 101.55 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.143 -0.688 . . . . 5.37 109.143 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.408 ' H ' ' CD2' ' A' ' 1' ' ' HIS . 7.6 p80 -84.35 115.8 22.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.667 -0.697 . . . . 5.61 110.829 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.91 -65.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.395 -0.82 . . . . 3.83 110.231 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -144.05 97.82 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 1.22 110.701 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 0.96 108.988 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 1.67 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.14 113.442 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' CB ' HD23 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.02 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.04 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 0.69 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.5 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.13 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 1.69 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 13' ' ' LEU . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 0.31 108.865 173.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.24 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 0.95 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 20' ' ' GLN . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.33 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.06 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.24 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 0.92 112.892 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.44 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 2.69 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.63 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 1.65 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 0.59 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 2.97 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 2.82 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 5' ' ' LEU . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.22 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 0.49 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' OH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.34 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD22 ' HD2' ' A' ' 122' ' ' LYS . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.45 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 1.23 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 0.68 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 0.58 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.11 112.899 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 0.74 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 0.43 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 1.62 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 2.49 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 0.37 109.865 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 0.51 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.77 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.62 111.563 174.149 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 0.67 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 3.8 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.81 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 1.71 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.22 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 1.76 108.497 177.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 1.46 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 0.8 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 1.43 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 0.7 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 0.73 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.98 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.12 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 1.54 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.37 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.27 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 1.52 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 0.92 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 0.83 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.6 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG3' HG12 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 2.96 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.08 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.06 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 0.93 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.11 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 0.97 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 0.63 111.184 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 1.4 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 2.48 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 0.64 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.556 ' H ' HG13 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.03 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 1.81 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.14 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.69 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 0.92 110.095 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.423 HD11 HG11 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 0.72 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 0.63 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 1.62 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.56 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 0.65 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 0.46 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.666 ' HD2' HD22 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 1.5 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 0.54 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.28 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 0.86 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.3 m -44.39 90.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.53 111.917 169.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.7 t60 173.73 56.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.347 -0.983 . . . . 2.77 108.347 -173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.9 m 64.79 74.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.75 . . . . 3.63 110.268 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.21 -0.9 . . . . 5.56 110.561 -179.814 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.767 -0.533 . . . . 12.2 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 p -130.68 83.49 61.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 120.676 0.274 . . . . 10.23 110.281 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.86 -65.47 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.502 2.135 . . . . 9.01 111.419 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 47.05 58.6 4.65 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.935 0.772 . . . . 8.29 111.716 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -70.52 117.81 12.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.721 -0.672 . . . . 5.37 110.679 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -100.41 0.95 40.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.835 -0.62 . . . . 5.61 109.588 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 45.1 t60 64.67 37.82 7.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.992 -1.004 . . . . 3.83 109.731 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 60.28 90.12 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.711 -1.131 . . . . 1.22 111.778 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.96 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 1.67 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.482 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.14 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.02 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.04 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 0.69 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 1.5 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 16' ' ' LEU . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.13 112.861 -171.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 1.69 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.35 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 13' ' ' LEU . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 0.31 108.769 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.24 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 1.91 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.762 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.95 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.33 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.06 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.24 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 0.92 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.44 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 2.69 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.63 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 1.65 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 0.59 110.933 -176.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 2.97 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 2.82 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.22 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 0.49 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.34 111.216 176.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.39 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 0.45 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 1.23 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HE2' HD21 ' A' ' 24' ' ' LEU . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 0.68 110.355 174.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 0.58 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.11 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 0.74 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 0.43 109.953 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 1.62 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 2.49 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 0.37 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 0.51 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.77 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 0.62 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 0.67 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 68' ' ' LEU . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 3.8 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 0.81 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD22 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 1.71 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.22 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 1.76 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 1.46 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' HB ' HD13 ' A' ' 101' ' ' LEU . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 0.8 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.766 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 1.43 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 0.7 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 0.73 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 0.98 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.12 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 1.54 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.37 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.27 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 1.52 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 0.92 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 0.83 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.6 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 2.96 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 97' ' ' VAL . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.08 106.709 165.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.06 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 0.93 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.11 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 HD13 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 0.97 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 0.63 110.7 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.443 HD13 ' HB ' ' A' ' 72' ' ' VAL . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 1.4 111.078 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.652 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 2.48 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 0.64 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.03 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 1.81 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.14 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.69 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.442 ' HB2' HG21 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 0.92 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.528 ' CD1' HG11 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 0.72 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 0.63 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 1.62 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.56 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 0.65 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 0.46 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 1.5 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 60' ' ' LEU . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 0.54 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.28 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 0.86 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 124' ' ' TYR . 31.0 m -49.29 -31.59 5.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.53 110.313 164.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -83.57 50.72 1.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 122.001 0.905 . . . . 2.77 109.708 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -154.47 48.48 0.6 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.442 -0.947 . . . . 3.63 108.442 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.183 -0.917 . . . . 5.56 110.129 -177.115 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.802 -0.519 . . . . 12.2 111.802 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 17.8 p -74.6 119.32 76.07 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.86 0.33 . . . . 10.23 110.279 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.35 72.75 2.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.05 2.5 . . . . 9.01 112.814 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -102.74 115.24 30.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 8.29 109.963 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -149.79 149.73 30.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.314 -0.403 . . . . 5.37 110.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 4' ' ' THR . 30.7 t60 -119.38 40.89 3.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.089 -0.708 . . . . 5.61 109.089 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -84.4 -46.3 11.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.694 -0.685 . . . . 3.83 110.642 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 -92.72 90.2 6.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.206 0.527 . . . . 1.22 110.981 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 1' ' ' HIS . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 1.67 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.14 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.02 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.04 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 0.69 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 1.5 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.13 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 1.69 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.35 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 13' ' ' LEU . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 0.31 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.24 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 1.91 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.72 ' O ' HD23 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.95 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.33 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.06 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.24 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.92 112.021 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.44 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 2.69 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.63 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 1.65 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 2.97 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 2.82 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.22 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 0.49 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.34 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 24' ' ' LEU . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.415 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 0.45 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 1.23 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 0.68 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 0.58 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.11 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.74 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 0.43 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 1.62 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 2.49 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 0.37 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.458 ' OG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 0.51 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.77 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 0.62 111.67 174.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 123' ' ' ILE . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 0.67 110.017 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 3.8 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 0.81 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 1.71 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.22 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 1.76 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 1.46 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 0.8 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 1.43 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.7 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 0.73 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.12 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 1.54 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.37 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.27 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 1.52 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 0.92 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 0.83 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.6 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 2.96 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.06 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 0.93 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.11 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 0.97 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 0.63 109.622 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 1.4 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 2.48 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 0.64 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.611 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.03 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.535 ' H ' HG22 ' A' ' 104' ' ' VAL . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 1.81 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.14 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.69 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.495 ' HB2' HG21 ' A' ' 71' ' ' VAL . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 0.92 109.713 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.475 HD11 HG11 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 0.72 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 0.63 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 1.62 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.56 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 0.65 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 0.46 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.47 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 1.5 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 0.54 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.28 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 0.86 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m -60.0 -7.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.53 111.771 168.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 31.5 t-80 -67.21 77.39 0.15 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.075 0.464 . . . . 2.77 110.915 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -124.87 144.24 50.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.108 -0.496 . . . . 3.63 110.126 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.478 -0.773 . . . . 5.56 110.378 -179.35 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.906 -0.478 . . . . 12.2 111.906 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 16.5 m -76.71 153.15 83.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.408 -0.219 . . . . 10.23 110.408 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.39 -60.21 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.384 2.056 . . . . 9.01 111.993 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 56.95 48.94 14.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.063 0.459 . . . . 8.29 111.748 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -112.94 -60.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 5.37 109.819 174.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 55.75 55.8 6.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.954 -0.566 . . . . 5.61 110.908 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.543 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 67.1 m170 -84.19 78.48 9.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.678 -0.692 . . . . 3.83 110.181 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 65.63 98.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.249 -0.887 . . . . 1.22 111.294 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 0.96 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 24' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 1.67 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.14 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 13' ' ' LEU . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.02 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.04 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 0.69 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 1.5 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.13 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 1.69 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.35 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 0.31 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.24 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 1.91 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.708 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 0.95 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD21 ' HE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.33 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.24 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 0.92 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.44 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 2.69 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.63 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 1.65 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 0.59 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 2.97 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 2.82 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.22 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 0.49 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.34 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.39 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.45 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.711 ' HE2' HD21 ' A' ' 24' ' ' LEU . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 0.68 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' OH ' HG23 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 0.58 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.11 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.74 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 0.43 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 1.62 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 2.49 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 0.37 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.573 HG22 ' HE3' ' A' ' 61' ' ' LYS . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 0.51 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.77 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 0.62 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HE3' HG22 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 0.67 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 3.8 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 0.81 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 1.71 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.22 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.481 ' CE1' ' HE2' ' A' ' 112' ' ' TYR . 35.8 t-80 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 1.76 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.46 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 76' ' ' LYS . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 0.8 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 1.43 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 0.7 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 0.73 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 0.98 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.12 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 1.54 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 88' ' ' ALA . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.37 109.641 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.27 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 1.52 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 0.92 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 0.83 108.462 172.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.6 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 2.96 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.08 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.06 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 0.93 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.11 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 0.97 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 0.63 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 2.48 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 0.64 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.03 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 1.81 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.14 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.69 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.543 ' OH ' ' HB3' ' A' ' 2' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 0.92 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.494 HD11 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 0.72 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 0.63 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 1.62 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.56 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 0.65 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.46 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.47 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.594 ' HD2' HD22 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 1.5 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 60' ' ' LEU . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 0.54 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.28 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 0.86 119.932 -149.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.1 m -62.49 45.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.53 111.088 164.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 129' ' ' SER . 28.0 t-80 -82.0 141.31 33.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.936 -0.574 . . . . 2.77 110.07 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.81 41.84 0.59 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.025 0.441 . . . . 3.63 111.004 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 127' ' ' HIS . 15.7 t . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.581 -0.896 . . . . 5.56 108.581 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 12.2 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 0' ' ' PHE . 37.7 m -150.64 85.8 5.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.861 0.33 . . . . 10.23 110.585 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.76 100.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.871 2.381 . . . . 9.01 112.644 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 54.26 52.63 12.24 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.507 -0.769 . . . . 8.29 110.963 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.45 ' CB ' ' HB3' ' A' ' -3' ' ' SER . 74.6 t80 -93.74 117.99 30.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.943 0.401 . . . . 5.37 111.085 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -130.57 12.73 5.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 5.61 109.774 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.419 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 29.4 t-80 71.82 140.46 0.05 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.028 -0.987 . . . . 3.83 109.988 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 60.22 54.59 3.96 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.22 109.774 -170.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 0.96 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 1.67 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.14 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.463 ' CB ' HD23 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.02 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.04 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 0.69 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 1.5 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.13 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 1.69 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.415 ' HE1' HD11 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD11 HD12 ' A' ' 13' ' ' LEU . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 0.31 108.992 174.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.24 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 1.91 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' O ' HD13 ' A' ' 24' ' ' LEU . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 0.95 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.33 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD21 HD11 ' A' ' 9' ' ' LEU . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.06 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.24 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 0.92 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.44 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 2.69 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.63 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 1.65 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 0.59 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 2.97 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 2.82 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.22 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 0.49 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.34 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 0.39 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 0.45 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 1.23 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' HE2' HD11 ' A' ' 24' ' ' LEU . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 0.68 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 0.58 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.11 112.269 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 0.74 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.43 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HA ' HD13 ' A' ' 48' ' ' LEU . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 1.62 109.739 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 2.49 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 0.37 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.51 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.77 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 123' ' ' ILE . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 0.62 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 0.67 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 3.8 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.81 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 1.71 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.22 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 1.76 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 1.46 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 0.8 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 1.43 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 0.7 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 0.73 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 83' ' ' LEU . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.98 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.12 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 80' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.37 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.27 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 1.52 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 0.92 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 0.83 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.6 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 2.96 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.08 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.06 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 0.93 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.11 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 0.97 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 0.63 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 1.4 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 2.48 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 0.64 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.61 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.03 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.496 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 1.81 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.14 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.69 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.419 ' OH ' ' HB3' ' A' ' 2' ' ' HIS . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 0.92 109.613 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.61 ' CD1' HG11 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.72 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.542 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 1.62 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.56 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 0.65 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 0.46 111.329 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.542 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.47 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 1.5 108.265 168.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 0.54 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.28 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 0.86 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.3 m -47.27 -25.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.53 111.713 169.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -64.96 -22.43 67.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.359 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.5 m 61.63 67.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 3.63 110.063 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.547 -0.739 . . . . 5.56 111.019 -177.823 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.893 -0.483 . . . . 12.2 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.2 m -93.71 128.31 42.36 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.571 0.224 . . . . 10.23 110.425 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.99 17.12 1.36 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.787 2.324 . . . . 9.01 112.871 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 62.9 -85.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.292 0.637 . . . . 8.29 111.911 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -160.51 113.41 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.681 0.277 . . . . 5.37 110.485 -175.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -78.17 124.3 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.093 -0.706 . . . . 5.61 109.093 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -79.66 66.24 5.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.819 -0.628 . . . . 3.83 111.613 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 58.36 87.16 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.396 -0.82 . . . . 1.22 111.684 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 0.96 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 1.67 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.14 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.541 ' CB ' HD23 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.02 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.04 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 0.69 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 1.5 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.13 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 1.69 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.35 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 0.31 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.24 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 0.95 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.33 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.24 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.92 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.44 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 2.69 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.63 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 1.65 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 0.59 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 2.97 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 2.82 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.22 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 0.49 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.34 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 0.39 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 0.45 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 0.68 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 0.58 110.966 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.11 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 0.74 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 0.43 109.948 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 1.62 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 2.49 110.951 176.136 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 0.37 109.84 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 0.51 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.77 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 0.62 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 0.67 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 3.8 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.81 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 1.71 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.22 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 1.76 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 1.46 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 0.8 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 1.43 111.778 -168.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 0.7 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.73 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 97' ' ' VAL . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.98 110.98 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.12 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 1.54 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.37 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.27 111.155 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 1.52 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 0.92 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 0.83 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.6 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 2.96 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.843 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.08 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.06 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 0.93 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.11 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 0.97 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 0.63 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 1.4 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 2.48 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 0.64 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.6 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.6 ' H ' HG13 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.03 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 104' ' ' VAL . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.81 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.14 112.239 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.69 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.434 ' HB2' HG21 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 0.92 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 HG11 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 0.72 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 0.63 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 1.62 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.56 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 0.65 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.47 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 1.5 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 0.54 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.28 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 0.86 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m -51.58 -35.86 17.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.53 110.709 167.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -84.1 89.34 7.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.314 -0.624 . . . . 2.77 109.314 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.1 m -61.05 98.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.304 0.573 . . . . 3.63 109.923 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.207 -0.902 . . . . 5.56 110.542 -174.1 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.851 -0.5 . . . . 12.2 111.851 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.5 t 64.06 86.7 0.14 Allowed Pre-proline 0 C--O 1.234 0.247 0 C-N-CA 122.982 0.513 . . . . 10.23 110.889 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.97 -177.99 1.85 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.721 2.281 . . . . 9.01 111.407 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.17 87.03 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.52 -0.548 . . . . 8.29 109.52 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -80.52 141.78 34.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.576 -0.738 . . . . 5.37 111.375 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -154.04 94.51 1.75 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.115 -0.948 . . . . 5.61 108.598 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -59.67 -71.0 0.14 Allowed 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.094 -0.957 . . . . 3.83 110.686 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.87 82.63 1.91 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.368 0.604 . . . . 1.22 110.531 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 0.96 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 1.67 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HA ' HD23 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.14 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.02 114.773 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 6' ' ' GLU . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.04 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 0.69 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 1.5 111.63 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HB3' HD12 ' A' ' 16' ' ' LEU . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.13 113.348 -173.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 1.69 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.35 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 13' ' ' LEU . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 0.31 109.001 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.24 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 1.91 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.444 ' O ' HD13 ' A' ' 24' ' ' LEU . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 0.95 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.33 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.06 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.24 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 0.92 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.44 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 2.69 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.63 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 1.65 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 0.59 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 2.97 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.753 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 2.82 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.22 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 0.49 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.34 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 0.39 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 0.45 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 0.68 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 0.58 110.597 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.11 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 0.74 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 0.43 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 1.62 109.409 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 2.49 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 0.37 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 0.51 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.77 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 0.62 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 0.67 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 3.8 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 0.81 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 1.71 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.22 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 1.76 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.674 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 1.46 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 0.8 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 1.43 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.7 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 0.73 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 83' ' ' LEU . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 0.98 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.12 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 1.54 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 80' ' ' LEU . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.37 108.213 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.27 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 1.52 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 0.92 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 0.83 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.6 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 2.96 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.08 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.06 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 0.93 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.11 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 0.97 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 0.63 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 1.4 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 2.48 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 0.64 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.638 HG11 HD11 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.522 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.03 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.674 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 1.81 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.14 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.69 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.92 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.638 HD11 HG11 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.63 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.753 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 1.62 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.56 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 0.65 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.46 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.47 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 1.5 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 0.54 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.28 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 0.86 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 94' ' ' LYS . 2.6 p -48.64 -36.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.53 111.038 169.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -85.63 77.29 9.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.1 m -92.29 -36.84 12.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.337 0.589 . . . . 3.63 110.008 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.505 -0.76 . . . . 5.56 109.876 178.563 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.806 -0.518 . . . . 12.2 111.806 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.1 m 70.14 93.85 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 122.976 0.51 . . . . 10.23 111.759 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.9 65.99 3.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.092 2.528 . . . . 9.01 111.255 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -82.03 116.97 21.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.827 -0.624 . . . . 8.29 111.489 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.69 -21.05 30.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.695 -0.854 . . . . 5.37 108.695 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -124.01 130.32 52.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.646 -1.161 . . . . 5.61 108.529 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -78.2 63.79 3.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.962 0.411 . . . . 3.83 111.292 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 51.31 57.6 6.43 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.189 -0.914 . . . . 1.22 110.967 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 0.96 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.75 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 1.67 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.14 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.489 ' CB ' HD23 ' A' ' 13' ' ' LEU . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.02 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.04 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 0.69 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 1.5 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.13 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.69 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.35 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 0.31 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.24 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 1.91 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.76 ' O ' HD23 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 0.95 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.33 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.06 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.24 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 0.92 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.44 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 2.69 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.63 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 1.65 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 0.59 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 2.97 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 2.82 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.22 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 0.49 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.34 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.39 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.45 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.23 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 0.68 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 0.58 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.11 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 0.74 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 0.43 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 1.62 109.424 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 2.49 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 0.37 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.51 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.77 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 123' ' ' ILE . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 0.62 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 124' ' ' TYR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 0.67 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 3.8 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.81 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 1.71 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.22 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 7.4 t60 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 1.76 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 1.46 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 0.8 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 1.43 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 0.7 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.73 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.98 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.12 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 1.54 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.37 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.27 110.665 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 1.52 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 0.92 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 0.83 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.6 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HB2' HG12 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 2.96 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.74 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.881 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.08 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.06 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 0.93 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.11 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.881 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 0.97 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 0.63 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 1.4 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 2.48 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 0.64 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.531 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.03 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 1.81 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.14 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.69 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 0.92 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.72 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.63 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.416 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 1.62 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.56 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 0.65 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.46 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' CYS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HE3' ' HG3' ' A' ' 94' ' ' LYS . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.47 111.216 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 1.5 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 60' ' ' LEU . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 0.54 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.28 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 0.86 119.43 -148.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 124' ' ' TYR . 30.3 m -66.73 40.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.53 111.468 169.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 125' ' ' GLY . 17.6 t-80 -88.24 -17.23 31.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.818 0.342 . . . . 2.77 110.665 -174.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.1 p -82.43 177.69 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 3.63 111.14 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.655 -0.688 . . . . 5.56 110.388 -179.133 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.996 -0.442 . . . . 12.2 111.996 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.3 m -111.83 98.53 41.97 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.657 0.265 . . . . 10.23 110.513 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.11 -23.12 18.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.592 2.195 . . . . 9.01 112.763 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -110.48 39.07 2.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 8.29 110.566 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' PHE . . . . . 0.476 ' CD2' ' HB2' ' A' ' 2' ' ' HIS . 6.1 t80 -70.83 -36.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 5.37 109.997 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t60 51.14 55.61 9.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.358 0.599 . . . . 5.61 110.21 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 0' ' ' PHE . 10.1 t-80 -101.78 94.09 5.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 3.83 110.101 -175.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 59.53 40.41 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.644 -0.707 . . . . 1.22 111.167 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.96 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 37' ' ' LEU . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 1.67 112.726 -172.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.14 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.02 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.04 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 0.69 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 1.5 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.13 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 1.69 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.4 ' HE1' HD11 ' A' ' 60' ' ' LEU . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.35 111.415 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 0.31 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.24 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.91 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 0.95 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 20' ' ' GLN . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.33 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.06 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.24 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.92 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.44 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 2.69 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.63 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 1.65 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 0.59 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 2.97 109.527 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 2.82 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.22 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 0.49 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 0.39 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 0.45 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.23 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 0.68 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 0.58 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.11 112.794 -175.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 0.74 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 0.43 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 1.62 110.175 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 2.49 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 0.37 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 0.51 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.77 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 0.62 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 0.67 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 3.8 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 0.81 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 1.71 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.22 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 1.76 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 1.46 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 100' ' ' ALA . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 0.8 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.556 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 1.43 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.7 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 0.73 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 0.98 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.12 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 1.54 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.37 109.673 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.27 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 1.52 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 0.83 108.711 172.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.6 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 126' ' ' VAL . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 2.96 110.385 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.775 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.08 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.06 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 0.93 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.775 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.11 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 0.97 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.63 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 1.4 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 2.48 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 0.64 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.03 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 1.81 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.14 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.69 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.92 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.598 HD11 HG11 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.72 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.63 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 1.62 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.56 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 0.65 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 0.46 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.47 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HD3' HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 1.5 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 0.54 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.28 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 0.86 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 124' ' ' TYR . 4.0 t -31.13 -57.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.53 111.097 169.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 58.59 55.18 4.94 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.904 0.859 . . . . 2.77 110.329 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 50.7 m -130.53 93.79 3.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.871 -1.059 . . . . 3.63 109.429 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.448 -0.787 . . . . 5.56 110.039 -178.288 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.781 0.324 . . . . 1.22 110.64 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 0.96 110.722 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 1.67 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.641 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.14 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD23 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.02 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.04 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 0.69 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 1.5 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.13 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 1.69 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.518 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 0.31 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.24 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 1.91 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.729 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 0.95 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.33 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.06 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.24 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 0.92 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.44 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 2.69 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.63 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 1.65 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 0.59 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 2.97 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 2.82 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.22 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 0.49 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.34 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.39 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.45 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.23 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 0.68 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 0.58 111.723 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.11 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 0.74 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 0.43 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 1.62 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 2.49 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 0.37 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 0.51 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.77 110.378 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.365 172.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 0.67 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 3.8 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.81 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 1.71 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.22 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 1.76 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 1.46 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 0.8 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 0.7 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 0.73 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 68' ' ' LEU . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.98 111.014 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.12 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 1.54 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.37 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 1.52 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 0.92 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 0.83 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.6 110.583 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 2.96 111.058 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.08 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.06 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 0.93 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.11 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 0.97 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 0.63 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 1.4 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 2.48 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 0.64 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.571 ' H ' HG13 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.03 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 104' ' ' VAL . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 1.81 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.14 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.69 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 ' HG2' ' A' ' 110' ' ' LYS . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 0.72 109.751 174.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 0.63 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 1.62 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.56 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 0.65 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 0.46 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.47 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 1.5 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 60' ' ' LEU . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 0.54 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.28 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 0.86 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' TYR . 15.1 m . . . . . 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.53 112.662 174.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 . . . . . 0 N--CA 1.463 0.194 0 CA-C-O 120.405 0.145 . . . . 1.22 111.274 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 0.96 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 1.67 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.14 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.02 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.04 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 0.69 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 1.5 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.13 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 1.69 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.35 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 0.31 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.24 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 1.91 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.716 ' O ' HD23 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.95 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.33 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.06 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.24 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE3' HD22 ' A' ' 37' ' ' LEU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 0.92 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.44 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 2.69 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.63 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 1.65 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.48 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 0.59 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 2.97 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 2.82 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 32' ' ' LYS . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.22 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 0.49 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.34 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 0.39 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 119' ' ' ALA . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.45 111.319 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 1.23 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 0.68 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 0.58 110.889 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.11 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 0.74 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 0.43 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 1.62 109.369 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 2.49 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.37 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 0.51 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.77 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 0.67 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 3.8 109.626 174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 0.81 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 1.71 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.22 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 1.76 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 1.46 112.175 -166.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 0.8 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 1.43 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.7 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 0.73 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.98 110.783 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.12 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 1.54 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.37 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.27 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 1.52 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 0.92 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 0.83 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.6 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 2.96 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.08 106.963 169.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HB2' HG11 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.06 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 0.93 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.11 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' LEU . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 0.97 110.179 175.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 0.63 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 1.4 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 2.48 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 0.64 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.548 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.03 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 104' ' ' VAL . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' VAL . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 1.81 110.733 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.14 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.69 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 0.92 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 104' ' ' VAL . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.72 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 0.63 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 1.62 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.56 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 0.65 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 0.46 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.47 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 1.5 109.444 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' LEU . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 0.54 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.28 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 0.86 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 94' ' ' LYS . 3.5 t . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.53 110.183 168.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 . . . . . 0 N--CA 1.463 0.2 0 CA-C-O 120.837 0.351 . . . . 1.22 111.401 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 0.96 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 1.67 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.14 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.02 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.04 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 0.69 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 1.5 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.13 112.678 -170.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 1.69 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.35 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 0.31 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.24 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 1.91 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 0.95 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.33 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.06 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.24 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.463 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 0.92 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.44 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 2.69 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.63 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 1.65 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.56 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 0.59 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 2.97 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 2.82 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HE1' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.22 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 0.49 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.34 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.39 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 0.45 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.643 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 0.68 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.489 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 0.58 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.11 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 0.74 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 0.43 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 1.62 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 2.49 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 0.37 109.473 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 0.51 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.77 109.797 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 0.62 111.549 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 0.67 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 3.8 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 0.81 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 1.71 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.22 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 1.76 109.715 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 109' ' ' LYS . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 1.46 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.871 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 0.8 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.616 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 1.43 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.7 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.73 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 0.98 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.12 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 1.54 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.37 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.27 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 1.52 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 0.92 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 0.83 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.6 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 2.96 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.06 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 0.93 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.11 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 0.97 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.871 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.63 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 1.4 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 2.48 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 0.64 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.03 113.041 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.532 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.623 ' HB3' HG23 ' A' ' 71' ' ' VAL . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 1.81 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.14 111.619 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.69 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.92 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.72 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 0.63 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 1.62 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.56 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 0.65 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 0.46 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.47 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 1.5 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 0.54 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.28 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 0.86 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.4 m . . . . . 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.53 111.424 169.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 67' ' ' ILE . 4.2 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.859 0.362 . . . . 1.22 110.558 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 0.96 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 1.67 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.14 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 13' ' ' LEU . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.02 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.04 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 0.69 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.617 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 1.5 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.13 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 1.69 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.35 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 0.31 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.24 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 1.91 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.95 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.33 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.06 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.24 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 0.92 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.44 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 2.69 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.63 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 1.65 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 0.59 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 2.97 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 2.82 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.22 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 0.49 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.34 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 0.39 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 1.23 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 0.68 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 0.58 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.11 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 0.74 113.103 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 0.43 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 1.62 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 2.49 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 0.37 109.956 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 0.51 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.77 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.458 172.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 0.67 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 3.8 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.706 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.81 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 1.71 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.22 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 1.76 114.735 166.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 1.46 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 76' ' ' LYS . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 0.8 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 1.43 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 0.7 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 0.73 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 0.98 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.12 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 1.54 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.37 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.27 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 1.52 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 0.92 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 0.83 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.444 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.6 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 2.96 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.752 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.08 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.06 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 0.93 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.11 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 0.97 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 0.63 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 1.4 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 2.48 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 0.64 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.588 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.588 ' H ' HG13 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.03 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 104' ' ' VAL . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.477 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.81 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.14 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 14.6 mm100 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.69 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 0.92 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 0.72 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 0.63 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 1.62 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.56 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 0.65 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.46 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.47 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 1.5 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 0.54 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.28 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 0.86 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m . . . . . 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.53 110.681 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 109.743 -0.465 . . . . 1.22 109.743 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 0.96 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.67 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.14 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.02 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.04 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 0.69 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 1.5 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 16' ' ' LEU . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.13 112.677 -170.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 1.69 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.35 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 13' ' ' LEU . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 0.31 108.536 173.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.24 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 1.91 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.747 ' O ' HD23 ' A' ' 24' ' ' LEU . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.95 110.014 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.33 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.06 111.273 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.24 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.92 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.44 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 2.69 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.63 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 1.65 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 2.97 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 2.82 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.22 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 0.49 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.34 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.39 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' A' ' 122' ' ' LYS . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.45 111.379 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 1.23 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 0.68 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 0.58 111.26 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.11 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 0.74 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 0.43 109.2 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 1.62 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 2.49 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 0.37 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 0.51 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.77 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 0.62 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 0.67 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 3.8 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.812 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 0.81 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 1.71 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.22 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 1.76 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.812 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 1.46 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 0.8 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 1.43 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.7 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.73 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 HG22 ' A' ' 97' ' ' VAL . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.98 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.12 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 1.54 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.37 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.27 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 1.52 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 0.92 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 0.83 108.93 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.6 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 2.96 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 97' ' ' VAL . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.08 106.357 167.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.06 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 0.93 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.759 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.11 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 0.97 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 0.63 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 1.4 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 2.48 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 0.64 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.03 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 1.81 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 113' ' ' ILE . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.14 111.399 -177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.69 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 0.92 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.669 ' CD1' HG11 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 0.72 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 0.63 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.507 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 1.62 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.56 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 0.65 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.46 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.507 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.47 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HD3' HD22 ' A' ' 42' ' ' LEU . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 1.5 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 0.54 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.28 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 0.86 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.5 m . . . . . 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.53 111.042 166.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 . . . . . 0 CA--C 1.521 -0.146 0 CA-C-O 120.801 0.334 . . . . 1.22 110.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 0.96 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.67 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.14 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.469 ' CB ' HD23 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.02 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.04 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 0.69 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 1.5 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 16' ' ' LEU . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.13 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 1.69 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 0.31 108.724 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.24 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 1.91 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 0.95 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.33 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.06 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.24 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.92 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.44 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 2.69 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.63 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 1.65 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 0.59 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 2.97 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 2.82 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.22 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 0.49 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.34 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CG1' HD21 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.45 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 1.23 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 0.68 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 0.58 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.11 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 0.74 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.43 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 1.62 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 2.49 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 0.37 109.849 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.51 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.77 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 0.62 111.496 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 0.67 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 3.8 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.6 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 0.81 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 1.71 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.22 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.404 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 43.1 t60 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 1.76 109.434 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.675 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 1.46 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 0.8 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 1.43 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 0.7 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.98 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 1.54 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.37 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.27 111.534 -170.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 1.52 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 0.92 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 0.83 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.6 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 2.96 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.08 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.06 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 0.93 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.11 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 0.97 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.808 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 0.63 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 1.4 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 2.48 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.511 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.03 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.675 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 1.81 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.14 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.69 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.404 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 0.92 109.738 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CG1' ' A' ' 104' ' ' VAL . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 0.72 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 0.63 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 1.62 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.56 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 0.65 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 0.46 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.47 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 1.5 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 60' ' ' LEU . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 0.54 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.28 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 0.86 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 124' ' ' TYR . 10.4 m . . . . . 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.53 113.389 173.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.004 0.43 . . . . 1.22 110.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.14 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.02 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.04 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 0.69 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 1.5 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.13 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 1.69 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.403 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.35 111.197 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.24 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 1.91 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.95 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.33 111.903 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.06 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.24 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.52 ' SD ' ' HG3' ' A' ' 40' ' ' LYS . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 0.92 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.44 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 2.69 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.63 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 1.65 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 0.59 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 2.97 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 2.82 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.22 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 0.49 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.34 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.39 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 42' ' ' LEU . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 0.45 111.58 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.23 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.405 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 0.68 110.055 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 0.58 111.779 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD11 ' CE3' ' A' ' 15' ' ' TRP . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.11 111.413 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 0.74 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 0.43 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 1.62 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 2.49 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 0.37 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 0.51 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.77 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 0.62 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 0.67 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 3.8 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.81 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 1.71 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.22 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 1.76 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.643 ' HA ' ' HG3' ' A' ' 109' ' ' LYS . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 1.46 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.738 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 0.8 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.738 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 1.43 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 0.7 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.73 110.025 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 0.98 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.12 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 1.54 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 83' ' ' LEU . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.37 109.363 171.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.27 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 1.52 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 0.92 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 0.83 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.6 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 2.96 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.08 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.06 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 0.93 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.11 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 0.97 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.581 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.63 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.451 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 1.4 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 2.48 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 0.64 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.03 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.643 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 1.81 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.14 111.329 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.69 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 0.92 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.743 ' CD1' HG11 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 0.72 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 0.63 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 1.62 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.56 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 0.65 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 0.46 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.47 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 1.5 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 0.54 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.28 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 0.86 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.53 110.967 168.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 121.255 0.55 . . . . 1.22 110.385 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 0.96 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.695 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 1.67 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.14 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.577 ' CB ' HD23 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.04 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 0.69 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 1.5 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.13 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 1.69 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 0.31 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.24 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 1.91 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 27.8 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD13 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 0.95 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.33 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.06 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.24 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.515 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 0.92 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 2.69 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.63 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 1.65 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.55 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 0.59 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 2.97 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 2.82 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 0.49 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.34 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.39 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 0.45 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 0.68 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 0.58 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.11 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 0.74 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 0.43 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 1.62 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 2.49 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 0.37 109.608 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 0.51 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.77 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 0.62 111.51 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 0.67 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 3.8 109.681 175.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 0.81 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 1.71 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.22 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.477 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 1.76 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 1.46 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 1.43 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.7 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 0.73 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.12 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 1.54 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.27 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 1.52 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 0.92 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 0.83 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.6 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 2.96 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.883 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.08 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.06 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 0.93 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.11 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.883 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.97 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 0.63 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 1.4 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 2.48 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 0.64 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.557 ' H ' HG13 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.03 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 1.81 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' HD12 ' A' ' 113' ' ' ILE . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.14 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.69 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.92 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 0.72 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 1.62 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.56 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 0.65 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 0.46 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.47 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 1.5 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 60' ' ' LEU . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 0.54 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.28 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 0.86 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 124' ' ' TYR . 21.2 m . . . . . 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.53 110.314 165.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 107.587 -1.264 . . . . 1.22 107.587 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 0.96 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 1.67 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.14 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.561 ' CB ' HD23 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.04 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 0.69 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 1.5 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.13 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 1.69 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.35 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 HD12 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 0.31 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.24 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 1.91 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 25.3 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 0.95 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 44' ' ' TYR . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.33 111.938 -177.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.06 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.24 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 0.92 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.44 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 2.69 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.63 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 1.65 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 0.59 111.45 -174.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 2.97 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 2.82 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.22 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 0.49 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.34 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.39 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.45 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 1.23 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 0.68 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 0.58 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.11 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 0.74 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 0.43 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 1.62 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 2.49 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 0.37 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 0.51 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.77 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' GLU . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 0.67 109.778 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 3.8 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.619 ' O ' HG12 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 0.81 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 1.71 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.22 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 1.76 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 1.46 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 0.8 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 1.43 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.7 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.73 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.98 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.12 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 1.54 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.37 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.27 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 1.52 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 0.92 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 0.83 107.793 170.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.6 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 2.96 110.858 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.846 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.08 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.06 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 0.93 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.11 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.97 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 1.4 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 2.48 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 0.64 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 1.81 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.14 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.69 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.55 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 0.92 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 0.72 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.63 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 1.62 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.56 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 0.65 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 0.46 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.47 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.493 ' HD2' HD22 ' A' ' 42' ' ' LEU . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 1.5 110.154 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 0.54 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.28 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 0.86 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m . . . . . 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.53 112.981 173.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 109.77 -0.456 . . . . 1.22 109.77 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 0.96 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 1.67 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.14 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.02 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.04 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 0.69 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 1.5 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.13 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 1.69 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.35 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 13' ' ' LEU . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 0.31 108.669 172.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.24 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 1.91 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.706 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 0.95 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.33 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.24 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 0.92 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.44 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 2.69 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.63 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 1.65 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 0.59 110.08 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 2.97 110.531 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 2.82 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 0.49 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.34 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.39 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 0.45 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 1.23 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 0.68 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 0.58 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.11 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 0.74 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 0.43 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 1.62 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 2.49 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 0.37 109.813 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 0.51 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.77 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 0.62 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 0.67 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 3.8 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 0.81 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 1.71 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.22 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.549 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 9.5 t60 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 1.76 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 1.46 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 0.8 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 1.43 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 0.7 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.73 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.98 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.12 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 1.54 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.37 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.27 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 1.52 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 0.92 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 0.83 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.6 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 2.96 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.553 ' O ' HG23 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.08 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.06 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 0.93 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.11 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 0.97 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 0.63 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 113' ' ' ILE . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 1.4 111.727 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 2.48 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 0.64 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.03 112.666 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.621 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 1.81 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.14 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 23.8 tp60 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.69 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.485 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 0.92 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 0.72 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.63 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 1.62 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.56 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 0.65 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.46 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.626 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.47 110.863 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.834 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 1.5 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 60' ' ' LEU . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 0.54 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.28 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 0.86 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.834 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m . . . . . 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.53 112.99 -148.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 108.279 -1.008 . . . . 1.22 108.279 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.96 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 1.67 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.14 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.02 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.04 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 0.69 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 1.5 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.13 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 1.69 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 13' ' ' LEU . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 0.31 108.492 173.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.24 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 1.91 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HG3' HD22 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 0.95 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.33 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.06 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.24 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 0.92 111.795 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.44 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 2.69 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.63 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 1.65 107.972 170.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 0.59 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 2.97 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.22 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 0.49 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.34 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 0.39 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.45 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 0.68 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 0.58 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.11 113.198 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 0.74 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 0.43 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 2.49 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 0.37 109.812 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 0.51 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.77 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 0.62 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.67 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 3.8 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 0.81 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 1.71 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.22 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 1.76 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 68' ' ' LEU . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 1.46 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.8 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 1.43 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.7 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.73 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 0.98 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.12 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 1.54 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.77 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.37 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.651 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.27 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 1.52 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 0.92 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 0.83 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.463 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.6 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB2' HG12 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 2.96 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.59 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.08 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.593 ' O ' HG12 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.06 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 0.93 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.11 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 0.97 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 0.63 110.96 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 1.4 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 2.48 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 0.64 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 ' N ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.597 ' N ' HG22 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.03 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HE2' ' A' ' 110' ' ' LYS . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 1.81 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.14 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.7 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.69 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 0.92 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 110' ' ' LYS . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 0.72 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 0.63 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 1.62 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.56 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 0.65 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 0.46 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.47 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 1.5 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 60' ' ' LEU . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 0.54 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.28 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 0.86 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.4 m . . . . . 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.53 112.224 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.92 0.391 . . . . 1.22 110.701 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 0.96 108.988 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 1.67 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.14 113.442 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.488 ' CB ' HD23 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.02 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.04 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 0.69 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.5 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.13 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 1.69 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 13' ' ' LEU . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 0.31 108.865 173.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.24 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 0.95 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 20' ' ' GLN . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.33 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.06 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.24 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 0.92 112.892 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.44 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 2.69 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.63 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 1.65 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 0.59 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 2.97 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 2.82 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 5' ' ' LEU . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.22 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 0.49 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' OH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.34 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.666 HD22 ' HD2' ' A' ' 122' ' ' LYS . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.45 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 1.23 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 0.68 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 0.58 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.11 112.899 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 0.74 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 0.43 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 1.62 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 2.49 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 0.37 109.865 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 0.51 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.77 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.62 111.563 174.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 0.67 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 3.8 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.81 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 1.71 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.22 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 17.3 t60 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 1.76 108.497 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 1.46 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 0.8 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 1.43 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 0.7 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 0.73 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.98 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.12 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 1.54 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.37 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.27 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 1.52 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 0.92 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 0.83 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.6 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG3' HG12 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 2.96 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.08 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.06 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 0.93 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.11 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 0.97 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 0.63 111.184 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 1.4 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 2.48 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 0.64 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.556 ' H ' HG13 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.03 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 1.81 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.14 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.69 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 0.92 110.095 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.423 HD11 HG11 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 0.72 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 0.63 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 1.62 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.56 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 0.65 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 0.46 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.666 ' HD2' HD22 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 1.5 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 0.54 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.28 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 0.86 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.3 m . . . . . 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.53 111.917 169.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 . . . . . 0 N--CA 1.463 0.224 0 CA-C-O 121.462 0.648 . . . . 1.22 111.778 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.96 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 1.67 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.482 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.14 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.02 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.04 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 0.69 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 1.5 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 16' ' ' LEU . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.13 112.861 -171.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 1.69 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.35 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 13' ' ' LEU . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 0.31 108.769 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.24 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 1.91 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.762 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.95 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.33 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.06 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.24 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 0.92 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.44 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 2.69 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.63 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 1.65 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 0.59 110.933 -176.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 2.97 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 2.82 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.22 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 0.49 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.34 111.216 176.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.39 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 0.45 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 1.23 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HE2' HD21 ' A' ' 24' ' ' LEU . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 0.68 110.355 174.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 0.58 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.11 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 0.74 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 0.43 109.953 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 1.62 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 2.49 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 0.37 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 0.51 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.77 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 0.62 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 0.67 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 68' ' ' LEU . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 3.8 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 0.81 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.569 HD22 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 1.71 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.22 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 1.76 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 1.46 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.443 ' HB ' HD13 ' A' ' 101' ' ' LEU . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 0.8 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.766 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 1.43 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 0.7 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 0.73 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 0.98 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.12 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 1.54 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.37 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.27 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 1.52 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 0.92 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 0.83 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.6 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 2.96 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 97' ' ' VAL . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.08 106.709 165.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.06 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 0.93 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.11 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 HD13 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 0.97 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 0.63 110.7 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.443 HD13 ' HB ' ' A' ' 72' ' ' VAL . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 1.4 111.078 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.652 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 2.48 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 0.64 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.03 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 1.81 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.14 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.69 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.442 ' HB2' HG21 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 0.92 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.528 ' CD1' HG11 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 0.72 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 0.63 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 1.62 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.56 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 0.65 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 0.46 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 1.5 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 60' ' ' LEU . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 0.54 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.28 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 0.86 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 124' ' ' TYR . 31.0 m . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.53 110.313 164.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 121.206 0.527 . . . . 1.22 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 175.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 1.67 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.14 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.02 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.04 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 0.69 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 1.5 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.13 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 1.69 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.35 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 13' ' ' LEU . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 0.31 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.24 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 1.91 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.72 ' O ' HD23 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.95 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.33 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.06 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.24 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.92 112.021 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.44 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 2.69 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.63 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 1.65 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 2.97 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 2.82 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.22 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 0.49 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.34 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 24' ' ' LEU . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.415 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 0.45 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 1.23 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 0.68 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 0.58 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.11 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.74 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 0.43 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 1.62 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 2.49 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 0.37 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.458 ' OG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 0.51 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.77 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 0.62 111.67 174.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 123' ' ' ILE . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 0.67 110.017 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 3.8 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 0.81 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 1.71 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.22 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 1.76 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 1.46 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 0.8 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 1.43 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.7 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 0.73 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.12 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 1.54 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.37 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.27 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 1.52 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 0.92 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 0.83 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.6 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 2.96 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.06 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 0.93 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.11 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 0.97 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 0.63 109.622 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 1.4 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 2.48 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 0.64 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.611 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.03 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.535 ' H ' HG22 ' A' ' 104' ' ' VAL . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 1.81 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.14 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.506 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.69 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.495 ' HB2' HG21 ' A' ' 71' ' ' VAL . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 0.92 109.713 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.475 HD11 HG11 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 0.72 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 0.63 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 1.62 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.56 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 0.65 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 0.46 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.47 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 1.5 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 0.54 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.28 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 0.86 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m . . . . . 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.53 111.771 168.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 . . . . . 0 N--CA 1.465 0.287 0 CA-C-O 121.505 0.669 . . . . 1.22 111.294 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 0.96 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 24' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 1.67 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.14 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 13' ' ' LEU . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.02 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.04 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 0.69 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 1.5 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.13 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 1.69 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.35 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 0.31 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.24 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 1.91 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.708 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 0.95 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD21 ' HE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.33 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.24 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 0.92 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.44 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 2.69 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.63 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 1.65 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 0.59 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 2.97 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 2.82 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.22 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 0.49 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.34 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.39 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.45 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.711 ' HE2' HD21 ' A' ' 24' ' ' LEU . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 0.68 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.535 ' OH ' HG23 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 0.58 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.11 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.74 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 0.43 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 1.62 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 2.49 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 0.37 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.573 HG22 ' HE3' ' A' ' 61' ' ' LYS . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 0.51 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.77 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 0.62 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HE3' HG22 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 0.67 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.501 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 3.8 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 0.81 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 1.71 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.22 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.593 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 12.8 t60 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 1.76 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.46 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 76' ' ' LYS . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 0.8 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 1.43 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 0.7 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 0.73 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 0.98 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.12 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 1.54 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 88' ' ' ALA . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.37 109.641 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.27 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 1.52 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 0.92 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 0.83 108.462 172.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.6 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 2.96 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.08 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.06 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 0.93 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.11 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 0.97 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 0.63 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 2.48 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 0.64 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.03 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 1.81 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.14 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.69 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.593 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 0.92 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.494 HD11 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 0.72 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 0.63 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 1.62 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.56 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 0.65 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.46 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.47 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.594 ' HD2' HD22 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 1.5 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 60' ' ' LEU . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 0.54 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.28 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 0.86 119.932 -149.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.1 m . . . . . 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.53 111.088 164.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.22 109.774 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 0.96 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 1.67 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.14 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.463 ' CB ' HD23 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.02 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.04 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 0.69 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 1.5 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.13 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 1.69 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.415 ' HE1' HD11 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.5 HD11 HD12 ' A' ' 13' ' ' LEU . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 0.31 108.992 174.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.24 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 1.91 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.475 ' O ' HD13 ' A' ' 24' ' ' LEU . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 0.95 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.33 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.437 HD21 HD11 ' A' ' 9' ' ' LEU . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.06 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.24 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 0.92 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.44 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 2.69 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.63 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 1.65 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 0.59 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 2.97 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 2.82 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.22 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 0.49 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.34 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 0.39 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 0.45 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 1.23 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.543 ' HE2' HD11 ' A' ' 24' ' ' LEU . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 0.68 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 0.58 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.11 112.269 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 0.74 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.43 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HA ' HD13 ' A' ' 48' ' ' LEU . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 1.62 109.739 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 2.49 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.53 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 0.37 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.51 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.77 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 123' ' ' ILE . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 0.62 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 0.67 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 3.8 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.81 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 1.71 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.22 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 1.76 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 1.46 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 0.8 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 1.43 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 0.7 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 0.73 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 83' ' ' LEU . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.98 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.12 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 80' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.37 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.27 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 1.52 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 0.92 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 0.83 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.6 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 2.96 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.08 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.06 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 0.93 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.11 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 0.97 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 0.63 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 1.4 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 2.48 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 0.64 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.61 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.03 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.496 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 1.81 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.14 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.69 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 0.92 109.613 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.61 ' CD1' HG11 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.72 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.542 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 1.62 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.56 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 0.65 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 0.46 111.329 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.542 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.47 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 1.5 108.265 168.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 0.54 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.28 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 0.86 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.3 m . . . . . 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.53 111.713 169.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 . . . . . 0 C--O 1.232 0.179 0 CA-C-O 121.416 0.626 . . . . 1.22 111.684 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 0.96 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 1.67 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.14 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.541 ' CB ' HD23 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.02 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.04 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 0.69 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 1.5 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.13 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 1.69 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.35 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 0.31 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.24 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 0.95 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.33 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.24 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.92 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.44 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 2.69 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.63 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 1.65 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 0.59 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 2.97 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 2.82 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.22 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 0.49 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.34 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 0.39 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 0.45 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 0.68 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 0.58 110.966 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.11 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 0.74 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 0.43 109.948 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 1.62 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 2.49 110.951 176.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 0.37 109.84 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 0.51 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.77 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 0.62 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 0.67 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 3.8 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.81 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 1.71 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.22 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 1.76 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 1.46 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 0.8 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 1.43 111.778 -168.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 0.7 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.73 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 97' ' ' VAL . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.98 110.98 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.12 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 1.54 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.37 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.27 111.155 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 1.52 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 0.92 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 0.83 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.6 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 2.96 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.843 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.08 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.06 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 0.93 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.11 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 0.97 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 0.63 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 1.4 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 2.48 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 0.64 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.6 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.6 ' H ' HG13 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.03 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 104' ' ' VAL . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.81 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.14 112.239 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.69 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.434 ' HB2' HG21 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 0.92 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 HG11 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 0.72 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 0.63 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 1.62 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.56 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 0.65 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.47 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 1.5 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 0.54 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.28 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 0.86 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m . . . . . 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.53 110.709 167.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 . . . . . 0 N--CA 1.452 -0.354 0 CA-C-O 121.368 0.604 . . . . 1.22 110.531 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 0.96 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 1.67 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HA ' HD23 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.14 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.02 114.773 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 6' ' ' GLU . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.04 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 0.69 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 1.5 111.63 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HB3' HD12 ' A' ' 16' ' ' LEU . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.13 113.348 -173.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 1.69 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.35 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 13' ' ' LEU . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 0.31 109.001 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.24 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 1.91 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.444 ' O ' HD13 ' A' ' 24' ' ' LEU . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 0.95 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.33 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.06 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.24 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 0.92 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.44 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 2.69 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.63 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 1.65 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 0.59 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 2.97 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.753 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 2.82 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.22 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 0.49 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.34 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 0.39 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 0.45 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 0.68 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 0.58 110.597 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.11 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 0.74 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 0.43 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 1.62 109.409 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 2.49 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 0.37 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 0.51 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.77 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 0.62 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 0.67 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.609 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 3.8 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 0.81 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 1.71 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.22 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 1.76 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.674 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 1.46 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 0.8 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 1.43 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.7 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 0.73 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 83' ' ' LEU . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 0.98 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.12 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 1.54 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 80' ' ' LEU . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.37 108.213 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.27 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 1.52 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 0.92 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 0.83 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.6 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 2.96 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.08 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.06 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 0.93 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.11 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 0.97 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 0.63 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 1.4 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 2.48 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 0.64 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.638 HG11 HD11 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.522 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.03 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.674 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 1.81 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.14 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.69 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.92 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.638 HD11 HG11 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.63 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.753 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 1.62 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.56 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 0.65 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.46 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.47 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 1.5 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 0.54 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.28 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 0.86 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 94' ' ' LYS . 2.6 p . . . . . 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.53 111.038 169.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 CA--C 1.522 -0.112 0 CA-C-O 120.89 0.376 . . . . 1.22 110.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 0.96 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.75 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 1.67 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.14 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.489 ' CB ' HD23 ' A' ' 13' ' ' LEU . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.02 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.04 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 0.69 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 1.5 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.13 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.69 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.35 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 0.31 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.24 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 1.91 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.76 ' O ' HD23 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 0.95 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.33 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.06 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.24 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 0.92 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.44 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 2.69 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.63 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 1.65 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 0.59 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 2.97 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 2.82 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.22 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 0.49 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.34 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.39 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.45 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.23 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 0.68 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 0.58 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.11 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 0.74 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 0.43 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 1.62 109.424 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 2.49 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 0.37 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.51 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.77 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 123' ' ' ILE . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 0.62 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 124' ' ' TYR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 0.67 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 3.8 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.81 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 1.71 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.22 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 7.4 t60 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 1.76 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 1.46 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 0.8 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 1.43 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 0.7 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.73 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.98 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.12 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 1.54 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.37 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.27 110.665 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 1.52 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 0.92 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 0.83 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.6 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HB2' HG12 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 2.96 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.74 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.881 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.08 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.06 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 0.93 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.11 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.881 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 0.97 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 0.63 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 1.4 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 2.48 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 0.64 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . 0.531 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.03 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.648 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 1.81 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.14 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.69 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 0.92 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.72 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.63 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.416 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 1.62 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.56 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 0.65 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.46 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HE3' ' HG3' ' A' ' 94' ' ' LYS . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.47 111.216 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 1.5 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 60' ' ' LEU . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 0.54 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.28 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 0.86 119.43 -148.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 124' ' ' TYR . 30.3 m . . . . . 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.53 111.468 169.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 C--O 1.235 0.309 0 CA-C-O 120.657 0.265 . . . . 1.22 111.167 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.96 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 37' ' ' LEU . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 1.67 112.726 -172.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.14 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.02 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.04 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 0.69 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 1.5 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.13 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 1.69 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TRP . . . . . 0.4 ' HE1' HD11 ' A' ' 60' ' ' LEU . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.35 111.415 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 0.31 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.24 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.91 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 0.95 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 20' ' ' GLN . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.33 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.06 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.24 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.92 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.44 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 2.69 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.63 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 1.65 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 0.59 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 2.97 109.527 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 2.82 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.22 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 0.49 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 0.39 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 0.45 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.23 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 0.68 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 0.58 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.11 112.794 -175.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 0.74 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 0.43 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 1.62 110.175 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 2.49 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 0.37 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 0.51 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.77 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 0.62 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 0.67 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 3.8 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 0.81 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 1.71 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.22 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 1.76 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 1.46 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 100' ' ' ALA . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 0.8 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.556 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 1.43 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.7 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 0.73 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 0.98 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.12 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 1.54 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.37 109.673 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.27 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 1.52 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 0.83 108.711 172.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.6 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 126' ' ' VAL . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 2.96 110.385 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.775 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.08 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.06 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 0.93 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.775 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.11 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 0.97 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.63 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 1.4 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 2.48 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 0.64 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.03 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 1.81 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.14 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.69 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.92 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . 0.598 HD11 HG11 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.72 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.63 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 1.62 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.56 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 0.65 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 0.46 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.47 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HD3' HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 1.5 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 0.54 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.28 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 0.86 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 124' ' ' TYR . 4.0 t . . . . . 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.53 111.097 169.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.676 0 N-CA-C 112.141 -0.384 . . . . 12.2 112.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 10.9 t -119.92 113.1 34.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 110.08 -0.341 . . . . 10.23 110.08 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 75.57 4.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.752 2.302 . . . . 9.01 111.993 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -68.86 107.39 3.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.768 -0.651 . . . . 8.29 111.212 -178.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -173.37 -29.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.505 0.669 . . . . 5.37 109.294 177.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.508 ' HA ' HG23 ' A' ' 4' ' ' THR . 90.3 m-70 66.98 26.98 8.95 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 114.746 -1.116 . . . . 5.61 112.209 172.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -102.63 -35.82 8.56 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.895 -0.409 . . . . 3.83 109.895 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -120.58 41.57 3.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.052 -0.522 . . . . 1.22 110.64 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 HG23 ' HA ' ' A' ' 1' ' ' HIS . 23.3 p -84.5 161.48 20.23 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.251 0.548 . . . . 0.96 110.722 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.692 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 83.5 mt -72.57 -27.33 62.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.747 -0.66 . . . . 1.67 110.884 178.703 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.641 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.2 mp0 -61.6 -45.41 94.21 Favored 'General case' 0 CA--C 1.519 -0.218 0 N-CA-C 107.895 -1.15 . . . . 1.8 107.895 168.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.5 t -57.13 -17.38 10.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 119.786 1.175 . . . . 1.14 111.823 -178.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.479 ' CB ' HD23 ' A' ' 13' ' ' LEU . 28.5 m -100.37 -19.22 16.39 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 114.508 1.299 . . . . 1.02 114.508 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.692 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.5 mt -56.77 -27.51 59.66 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 116.685 2.106 . . . . 1.04 116.685 -162.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -105.92 3.83 28.92 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.972 -1.013 . . . . 1.32 111.261 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 35.1 p -125.15 -97.93 0.42 Allowed 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.067 0.46 . . . . 0.69 111.857 179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.409 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 3.6 m80 -59.64 -41.66 90.99 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.665 -0.698 . . . . 1.5 111.165 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.09 24.94 12.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.596 0.712 . . . . 1.13 112.399 -170.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -73.87 -14.99 61.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.087 -0.961 . . . . 1.69 112.309 -175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -76.71 -6.62 52.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.86 -0.609 . . . . 0.35 110.888 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.518 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 66.3 mt -75.36 146.5 40.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.801 0.81 . . . . 0.31 108.983 173.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.5 m -83.22 159.72 21.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.224 -1.353 . . . . 1.24 109.087 175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.31 -48.57 73.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.943 0.338 . . . . 1.91 110.696 -174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.13 -36.13 72.51 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 116.526 -0.307 . . . . 2.49 110.627 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.729 ' O ' HD22 ' A' ' 24' ' ' LEU . 96.9 mt-30 -70.8 -49.32 47.73 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.3 -0.63 . . . . 1.57 109.3 178.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.518 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 99.1 mttt -54.51 -51.45 65.1 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.2 0.524 . . . . 0.95 110.09 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -63.25 -27.28 69.23 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.11 -0.95 . . . . 0.67 111.019 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -63.0 -51.73 65.7 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 122.233 -0.292 . . . . 1.43 111.469 170.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.729 HD22 ' O ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -59.48 -49.09 79.14 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 117.986 0.357 . . . . 1.33 110.958 177.74 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.496 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.9 mp -50.77 -44.93 58.85 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 112.045 0.387 . . . . 1.06 112.045 173.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 1.8 tpmt? -61.57 -47.47 85.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.682 0.277 . . . . 3.24 110.962 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 22.9 mtm -62.62 -50.69 70.24 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.372 0.508 . . . . 0.92 112.372 177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -61.42 -38.31 86.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.929 0.395 . . . . 2.44 110.635 -179.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -72.09 -28.53 63.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.897 -0.592 . . . . 2.69 111.984 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -88.91 2.07 54.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.167 0.984 . . . . 2.14 110.835 -176.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.72 20.92 38.51 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.413 -1.267 . . . . 0.63 112.611 172.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.46 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 75.0 mmtt -69.54 151.09 46.41 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.182 -0.673 . . . . 1.65 109.182 174.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.27 146.14 49.13 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 115.658 -0.701 . . . . 0.59 110.316 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -53.56 -33.39 54.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.476 -0.329 . . . . 2.97 110.961 178.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -64.98 -15.93 62.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.619 -0.264 . . . . 2.82 111.676 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 38.1 mt-10 -84.06 -25.08 30.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 122.792 1.282 . . . . 0.85 110.026 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 ' N ' HD22 ' A' ' 37' ' ' LEU . 2.6 mm? -77.85 -42.44 33.55 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 112.442 -2.163 . . . . 1.22 110.071 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.548 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.7 tt0 -54.67 -27.41 39.97 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.241 -0.89 . . . . 2.72 110.478 174.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.42 -36.77 14.38 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 113.761 1.023 . . . . 0.49 113.761 -173.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -62.41 -53.75 50.33 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.093 -0.503 . . . . 1.34 110.228 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.37 -42.1 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-N 115.91 -0.586 . . . . 0.39 111.532 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.4 mt -64.96 -36.29 83.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.045 0.45 . . . . 0.45 111.463 177.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 81.7 t60 -63.21 -50.88 68.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.776 -0.647 . . . . 1.23 110.589 171.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.57 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 23.0 m-85 -56.78 -42.76 80.0 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.513 0.673 . . . . 0.68 109.811 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -55.79 -53.08 61.0 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.203 -1.362 . . . . 0.58 111.723 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -72.44 -20.31 61.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.53 -0.305 . . . . 1.2 111.426 -174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -93.2 8.19 41.23 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.131 -0.356 . . . . 2.22 111.421 -177.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 63.2 mt -71.35 -165.84 0.15 Allowed 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 121.76 0.791 . . . . 1.11 112.992 -175.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -130.44 -175.68 3.72 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.749 -1.114 . . . . 2.83 109.698 -169.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -45.24 -80.7 0.04 OUTLIER Glycine 0 CA--C 1.522 0.487 0 O-C-N 123.536 0.523 . . . . 0.74 114.258 -173.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -77.69 -22.77 49.97 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.912 -0.403 . . . . 2.37 109.912 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.52 -48.7 80.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.463 0.649 . . . . 0.43 109.858 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -65.62 -50.72 64.02 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 114.96 -1.018 . . . . 1.62 109.32 -178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -53.32 -46.1 69.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.952 -0.567 . . . . 2.49 111.183 177.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.18 -48.67 69.91 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.329 -0.396 . . . . 2.27 110.499 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.76 -51.13 71.06 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 119.983 -0.687 . . . . 0.37 109.949 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 31.5 m -47.72 -47.04 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.69 0.757 . . . . 0.51 112.103 177.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.51 -32.28 73.86 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.236 -1.347 . . . . 1.71 111.767 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.44 -45.67 17.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.883 0.373 . . . . 0.77 110.378 -177.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -58.66 -31.93 68.63 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 116.192 -0.458 . . . . 0.62 111.365 172.037 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 57' ' ' THR . 90.2 mttt -57.4 -56.83 16.8 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.63 -0.507 . . . . 0.67 109.63 173.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.525 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.49 -41.97 74.39 Favored Glycine 0 C--O 1.226 -0.398 0 C-N-CA 121.287 -0.483 . . . . 0.59 112.61 176.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.01 -52.34 51.84 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.894 -0.67 . . . . 0.5 112.685 175.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.4 t -68.85 -27.03 65.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.004 0.431 . . . . 1.13 110.355 178.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.47 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 48.4 ttp180 -60.05 -40.89 90.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.976 -0.556 . . . . 3.8 110.261 174.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 11.8 mm-40 -70.31 -33.28 71.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.155 -0.475 . . . . 2.02 110.293 178.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.61 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.8 mt -66.29 -43.95 91.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.147 -0.479 . . . . 0.81 110.099 173.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.541 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 24.6 tp -64.59 -28.96 69.99 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.64 0.733 . . . . 1.71 109.954 177.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.9 mmtm -66.22 -15.94 63.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.456 -1.247 . . . . 2.22 110.996 173.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -99.47 -57.8 2.07 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.975 0.893 . . . . 1.76 109.225 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 67' ' ' ILE . 5.2 p -67.39 -45.35 85.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.834 0 CA-C-N 113.872 -1.513 . . . . 1.46 112.594 -171.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.603 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -101.87 -16.38 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 C-N-CA 120.516 -0.474 . . . . 0.8 111.145 -178.777 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.2 168.43 44.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.018 -0.61 . . . . 0.55 112.593 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.92 -42.93 80.88 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.155 -0.313 . . . . 2.31 110.155 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 32.0 tt0 -43.23 -65.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.221 0 O-C-N 124.328 1.018 . . . . 2.0 112.687 179.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.603 ' HB2' HG13 ' A' ' 72' ' ' VAL . 30.9 mmmt -79.24 -34.46 42.69 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.167 -0.47 . . . . 1.43 111.295 -169.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.52 -24.23 67.73 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.996 0.427 . . . . 0.7 110.123 176.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -74.2 -41.18 61.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.725 -0.671 . . . . 0.73 109.693 175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 52.5 mt-10 -68.65 -32.59 72.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.362 -0.835 . . . . 1.33 111.19 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.435 HD13 HD21 ' A' ' 68' ' ' LEU . 27.8 mt -74.24 -40.47 62.38 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.691 -0.686 . . . . 0.98 111.014 176.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.38 -42.78 78.6 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.475 . . . . 2.12 109.941 178.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -69.53 -42.73 74.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 119.032 -0.508 . . . . 1.54 109.649 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -51.61 -52.36 48.25 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.506 0.594 . . . . 1.37 109.879 176.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 14.4 tmtt? -47.94 -58.41 4.44 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.971 -0.559 . . . . 2.27 111.41 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -62.69 -30.06 71.12 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.169 -0.468 . . . . 2.52 111.972 -178.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 42.0 m -83.05 -5.49 59.12 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.623 0.249 . . . . 1.52 111.589 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.32 15.96 19.77 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.53 -0.843 . . . . 0.92 112.93 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -60.32 126.86 29.07 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 107.717 -1.216 . . . . 0.83 107.717 169.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.409 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 23.0 p -70.57 174.89 5.31 Favored 'General case' 0 N--CA 1.44 -0.963 0 CA-C-N 114.449 -1.25 . . . . 1.6 110.583 179.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -58.78 -23.24 59.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.994 0.426 . . . . 2.96 111.058 178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -84.67 -42.83 14.94 Favored 'General case' 0 C--O 1.214 -0.787 0 C-N-CA 120.633 -0.427 . . . . 2.34 111.455 -177.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.517 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 39.4 mm-40 -60.14 -37.5 80.27 Favored 'General case' 0 C--O 1.218 -0.579 0 C-N-CA 123.088 0.555 . . . . 1.45 110.715 176.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 45.6 mt -68.39 -37.05 80.02 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.153 -1.055 . . . . 1.08 108.153 170.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.46 ' O ' HG12 ' A' ' 97' ' ' VAL . 4.3 ttmp? -65.51 -42.84 91.64 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 119.654 1.116 . . . . 2.06 109.972 178.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.74 -17.46 35.82 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 122.015 0.912 . . . . 0.93 112.392 -173.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -71.87 -63.52 1.12 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 113.742 -1.572 . . . . 3.11 110.265 163.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 94' ' ' LYS . 0.7 OUTLIER -49.03 -40.82 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.088 0 CA-C-N 114.111 -1.404 . . . . 0.97 113.335 -173.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 35.2 mm-40 -67.41 -34.32 77.0 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.668 -0.242 . . . . 2.03 111.519 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -79.56 -38.43 34.15 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 110.231 -0.285 . . . . 2.48 110.231 177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.18 78.51 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.238 -0.437 . . . . 0.63 110.602 178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 92.9 mt -77.54 -2.43 35.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 1.4 111.45 177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 31.1 t-80 -88.69 -49.53 6.8 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.616 -1.253 . . . . 2.48 107.616 170.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.08 -1.76 2.35 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 113.635 0.976 . . . . 0.64 113.635 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.571 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -79.28 -70.54 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 O-C-N 122.047 -0.408 . . . . 1.68 111.218 -179.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.571 ' H ' HG13 ' A' ' 104' ' ' VAL . 24.3 p 66.35 13.58 9.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.463 0.705 . . . . 1.03 112.875 172.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.531 ' H ' HG22 ' A' ' 104' ' ' VAL . 8.8 m-20 -88.34 133.94 33.95 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.828 -0.434 . . . . 2.07 109.828 170.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -56.48 -54.51 44.91 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.662 0.986 . . . . 3.18 113.662 -163.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 2.78 111.199 -178.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.54 ' HB3' HG23 ' A' ' 71' ' ' VAL . 98.6 mttt -73.28 -41.73 63.27 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.825 0.345 . . . . 1.81 110.688 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.532 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -68.49 -12.11 60.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.644 0.735 . . . . 1.14 111.841 177.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.606 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.5 OUTLIER -63.88 -42.53 97.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.584 -1.189 . . . . 1.69 109.003 170.297 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -77.19 -31.52 55.4 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.92 110.517 -178.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.45 HD12 ' HG2' ' A' ' 110' ' ' LYS . 58.5 mt -58.53 -46.52 89.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.34 0.591 . . . . 0.72 109.751 174.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.43 -40.09 70.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.432 -0.804 . . . . 0.63 110.442 175.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.606 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 1.0 OUTLIER -69.63 -63.29 1.1 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.374 0.607 . . . . 1.73 111.422 -173.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.76 -22.16 16.01 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.134 -0.939 . . . . 1.62 112.183 -170.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -40.94 -70.29 0.42 Allowed Glycine 0 CA--C 1.534 1.223 0 N-CA-C 114.619 0.608 . . . . 0.56 114.619 -173.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.61 -49.56 17.06 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 123.078 2.519 . . . . 0.65 113.547 -178.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.646 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -68.7 -34.01 74.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.255 0.55 . . . . 0.46 111.489 -177.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 44.3 t -62.81 -29.41 70.7 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.106 -0.497 . . . . 1.17 110.724 176.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.92 -41.13 99.37 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.028 0.381 . . . . 1.47 112.028 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 16.3 ptpt -68.05 -34.29 76.17 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 108.783 -0.821 . . . . 1.5 108.783 174.261 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.453 HD13 ' HB3' ' A' ' 60' ' ' LEU . 79.1 mt -70.7 -48.55 57.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 122.803 1.287 . . . . 0.54 112.333 -174.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.519 ' O ' ' N ' ' A' ' 126' ' ' VAL . 4.1 m-85 -74.56 23.27 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 112.881 -1.963 . . . . 1.28 111.125 172.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.21 30.64 0.0 OUTLIER Glycine 0 N--CA 1.487 2.064 0 C-N-CA 127.782 2.61 . . . . 0.86 118.907 -145.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.519 ' N ' ' O ' ' A' ' 124' ' ' TYR . 15.1 m -57.28 -10.25 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 124.294 1.038 . . . . 1.53 112.662 174.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -45.7 -67.65 0.26 Allowed 'General case' 0 CA--C 1.532 0.274 0 O-C-N 123.488 0.493 . . . . 2.77 111.291 -176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 61.5 m 66.97 116.36 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.036 0.446 . . . . 3.63 111.923 177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.252 1.228 0 CA-C-N 115.539 -0.755 . . . . 5.56 111.145 178.201 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.77 0 N-CA-C 112.236 -0.345 . . . . 12.2 112.236 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 26.5 m -137.44 88.75 16.56 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.579 0.228 . . . . 10.23 110.436 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -65.44 87.33 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.851 2.367 . . . . 9.01 111.553 178.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -102.51 74.19 1.36 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 120.931 0.396 . . . . 8.29 111.209 -174.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -75.99 -48.4 21.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.282 -1.007 . . . . 5.37 108.282 171.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 52.55 59.58 4.4 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.842 -1.072 . . . . 5.61 111.88 169.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -123.21 121.95 37.19 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.514 -0.55 . . . . 3.83 109.514 177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 58.45 37.4 25.68 Favored 'General case' 0 N--CA 1.463 0.194 0 O-C-N 123.532 0.52 . . . . 1.22 111.274 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 31.3 p -78.11 155.33 30.59 Favored 'General case' 0 C--N 1.331 -0.212 0 O-C-N 122.104 -0.372 . . . . 0.96 110.807 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.681 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 94.6 mt -59.5 -42.42 92.12 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 112.423 0.527 . . . . 1.67 112.423 -177.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.569 ' HA ' HD12 ' A' ' 9' ' ' LEU . 39.9 mt-10 -46.77 -41.45 15.34 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 108.474 -0.936 . . . . 1.8 108.474 173.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.8 t -56.09 -73.31 0.06 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 118.754 0.707 . . . . 1.14 112.363 -168.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.415 ' HA ' ' OG1' ' A' ' 11' ' ' THR . 10.0 p -79.31 1.24 25.72 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 115.106 1.521 . . . . 1.02 115.106 -168.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.704 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 23.9 mt -60.32 -13.87 15.32 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 122.528 1.156 . . . . 1.04 114.043 175.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -106.71 3.43 26.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.984 -1.916 . . . . 1.32 110.877 174.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 8' ' ' SER . 33.5 p -132.73 -90.84 0.39 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.449 0.537 . . . . 0.69 112.449 178.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 87.2 m-70 -61.27 -42.69 99.07 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.844 -0.428 . . . . 1.5 109.844 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -103.34 20.47 17.72 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.712 0.768 . . . . 1.13 111.886 -170.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.704 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 20.6 ptmt -68.63 -20.01 64.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 114.766 -1.107 . . . . 1.69 112.134 -173.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 57.9 p-90 -76.87 -7.34 55.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.848 -0.615 . . . . 0.35 111.104 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.3 mt -75.16 147.93 40.04 Favored 'General case' 0 C--N 1.332 -0.154 0 N-CA-C 108.742 -0.836 . . . . 0.31 108.742 173.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 20' ' ' GLN . 22.1 t -81.2 160.35 24.34 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.7 -1.136 . . . . 1.24 109.169 176.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -47.15 79.16 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.653 -0.499 . . . . 1.91 109.653 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.08 -35.73 67.32 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 116.038 -0.528 . . . . 2.49 110.67 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.716 ' O ' HD23 ' A' ' 24' ' ' LEU . 39.7 mt-30 -73.51 -45.6 52.89 Favored 'General case' 0 C--O 1.218 -0.582 0 N-CA-C 109.393 -0.595 . . . . 1.57 109.393 178.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 94.8 mttt -56.72 -48.17 78.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.954 0.407 . . . . 0.95 110.215 178.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -66.29 -31.13 71.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.621 -0.718 . . . . 0.67 111.204 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 -64.34 -53.93 40.97 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 122.405 0.282 . . . . 1.43 110.94 171.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.716 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -60.59 -43.22 97.63 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.268 0.627 . . . . 1.33 110.482 -178.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.85 -37.85 86.02 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.198 -0.455 . . . . 1.06 110.896 177.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.3 tmmm? -63.33 -42.02 98.95 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.849 -0.614 . . . . 3.24 110.093 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.425 ' HE3' HD22 ' A' ' 37' ' ' LEU . 25.7 mtm -59.55 -51.68 68.81 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 112.542 0.571 . . . . 0.92 112.542 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.93 -38.82 89.86 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.813 0.34 . . . . 2.44 111.363 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -71.16 -30.27 66.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 2.69 112.408 -177.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -89.69 -3.42 58.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.815 0.817 . . . . 2.14 110.604 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.03 23.67 14.5 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 114.665 -1.152 . . . . 0.63 113.599 171.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 36' ' ' GLU . 21.6 mmtp -69.35 152.25 45.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 109.551 -0.537 . . . . 1.65 109.551 172.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.48 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.56 150.39 39.75 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 115.458 -0.792 . . . . 0.59 110.447 179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -55.4 -33.43 63.5 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.004 -0.369 . . . . 2.97 110.004 176.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 115' ' ' ASP . 1.4 mptm? -58.43 -20.22 42.86 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.131 -0.486 . . . . 2.82 111.95 177.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 32' ' ' LYS . 32.2 mt-10 -86.82 -26.64 23.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 122.556 1.17 . . . . 0.85 110.688 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.4 mm? -72.79 -46.18 54.61 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 112.718 -2.037 . . . . 1.22 109.85 171.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -53.0 -29.21 27.92 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 115.131 -0.941 . . . . 2.72 110.7 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.93 -37.46 14.36 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 113.224 0.824 . . . . 0.49 113.224 -172.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 5.8 tptp -60.52 -57.63 11.93 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.557 -0.747 . . . . 1.34 109.795 172.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 79.6 mt -61.62 -46.2 97.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.78 -0.645 . . . . 0.39 111.309 -175.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD11 ' HB1' ' A' ' 119' ' ' ALA . 26.4 mt -64.33 -32.68 74.39 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.918 0.39 . . . . 0.45 111.319 179.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -65.22 -49.28 70.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.49 . . . . 1.23 110.115 172.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' O ' ' HG ' ' A' ' 48' ' ' LEU . 22.6 m-85 -61.69 -33.77 74.59 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.498 0.666 . . . . 0.68 110.583 178.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -66.13 -46.64 76.79 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.802 -1.09 . . . . 0.58 110.889 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -76.06 -19.33 58.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.287 -0.415 . . . . 1.2 111.75 -174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -92.04 2.0 56.84 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.765 -0.374 . . . . 2.22 110.478 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 40.7 mt -72.89 140.63 47.65 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 121.369 0.604 . . . . 1.11 111.009 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' H ' ' HG3' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -59.59 -82.33 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.55 0 CA-C-N 114.107 -1.406 . . . . 2.83 113.239 -175.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.42 -67.31 0.01 OUTLIER Glycine 0 C--O 1.227 -0.324 0 C-N-CA 120.342 -0.933 . . . . 0.74 112.672 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -73.11 -35.85 66.65 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.89 0.376 . . . . 2.37 110.208 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.97 -47.49 86.2 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 108.7 -0.852 . . . . 0.43 108.7 170.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -56.37 -52.34 64.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 114.371 -1.286 . . . . 1.62 109.369 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.02 -45.16 71.47 Favored 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.526 0.517 . . . . 2.49 111.142 177.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -44.04 67.62 Favored 'General case' 0 N--CA 1.426 -1.643 0 N-CA-C 109.305 -0.628 . . . . 2.27 109.305 -173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.06 -49.17 78.45 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.422 -0.584 . . . . 0.37 109.422 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 97.7 m -46.17 -47.95 17.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.881 0.848 . . . . 0.51 112.565 176.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -64.09 -31.46 72.66 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 113.864 -1.516 . . . . 1.71 111.57 178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 61.4 m-70 -76.99 -50.19 13.72 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 110.031 -0.359 . . . . 0.77 110.031 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.589 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.3 mp -57.42 -35.82 70.56 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 115.821 -0.627 . . . . 0.62 111.814 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 75.3 mttt -55.92 -56.39 21.18 Favored 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 109.528 -0.545 . . . . 0.67 109.528 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.28 -37.57 81.68 Favored Glycine 0 N--CA 1.445 -0.767 0 CA-C-N 115.699 -0.682 . . . . 0.59 112.082 177.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -53.78 -57.88 14.5 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 121.373 -0.442 . . . . 0.5 113.239 176.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 29.9 p -76.76 -23.51 52.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.402 -0.469 . . . . 1.13 110.637 -178.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 65' ' ' ARG . 40.8 ttt-85 -68.26 -34.75 76.77 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.626 -0.509 . . . . 3.8 109.626 174.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -68.75 -33.53 74.05 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.758 -0.655 . . . . 2.02 109.341 175.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.3 mt -65.63 -45.31 92.57 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.495 0 CA-C-N 115.455 -0.793 . . . . 0.81 109.972 171.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.2 tp -57.52 -36.23 71.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.409 0.623 . . . . 1.71 110.002 176.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.8 tttm -64.93 -17.3 64.25 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.764 -1.107 . . . . 2.22 111.479 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -100.73 -47.69 4.75 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.75 1.262 . . . . 1.76 109.607 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 109' ' ' LYS . 12.7 t -78.43 -46.42 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 112.806 -1.997 . . . . 1.46 112.175 -166.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -94.87 -21.29 5.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.469 -0.893 . . . . 0.8 109.897 174.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.26 169.87 43.48 Favored Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.097 -0.956 . . . . 0.55 112.172 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.6 mp0 -60.3 -23.93 64.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.761 0.315 . . . . 2.31 110.79 177.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -56.72 -68.51 0.21 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 2.0 112.076 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.511 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.3 mmmt -77.49 -33.79 54.41 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.437 -0.347 . . . . 1.43 111.422 -171.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.88 -29.34 70.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.948 0.404 . . . . 0.7 110.179 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.34 -40.22 89.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 115.896 -0.593 . . . . 0.73 110.103 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -77.05 -29.58 55.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.598 -0.728 . . . . 1.33 111.085 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 59.8 mt -78.27 -32.44 49.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.98 110.783 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.49 ' C ' ' HD3' ' A' ' 81' ' ' LYS . 0.9 OUTLIER -61.63 -53.04 61.57 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.816 -0.809 . . . . 2.12 108.816 173.389 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -65.01 -34.32 78.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.607 -0.724 . . . . 1.54 110.057 -178.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.9 mt -60.07 -45.71 92.0 Favored 'General case' 0 N--CA 1.445 -0.711 0 N-CA-C 109.678 -0.49 . . . . 1.37 109.678 177.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 60.5 tptt -56.25 -56.67 18.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.723 -0.671 . . . . 2.27 110.728 178.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.24 -20.38 62.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.798 0.666 . . . . 2.52 112.798 -176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.7 m -81.57 -10.25 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.821 -0.352 . . . . 1.52 110.63 176.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.18 18.28 9.37 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.625 -0.798 . . . . 0.92 113.139 173.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.12 127.27 30.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.356 -0.979 . . . . 0.83 108.356 171.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 37.0 m -72.46 172.65 10.08 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 114.265 -1.334 . . . . 1.6 110.129 178.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -60.54 -25.22 65.98 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.566 -0.454 . . . . 2.96 111.448 -175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 38.3 tt0 -79.46 -39.75 31.46 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 112.327 0.491 . . . . 2.34 112.327 -178.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.685 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.8 mm-40 -62.16 -36.28 81.37 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 121.108 0.48 . . . . 1.45 110.064 176.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.526 ' O ' HG23 ' A' ' 97' ' ' VAL . 53.1 mt -71.83 -44.09 64.46 Favored 'General case' 0 C--O 1.211 -0.937 0 N-CA-C 106.963 -1.495 . . . . 1.08 106.963 169.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.585 ' HB2' HG11 ' A' ' 126' ' ' VAL . 83.8 tttt -61.71 -42.94 99.62 Favored 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 120.143 1.338 . . . . 2.06 110.78 -171.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.41 -51.35 6.27 Favored 'General case' 0 N--CA 1.431 -1.419 0 CA-C-N 114.808 -1.087 . . . . 0.93 112.071 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.685 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.2 mptt -60.66 -24.6 65.7 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.386 0.612 . . . . 3.11 112.145 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 93' ' ' LEU . 20.0 t -68.7 -44.01 82.66 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 CA-C-N 115.213 -0.903 . . . . 0.97 110.179 175.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 38.7 mt-10 -59.97 -24.92 64.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.341 -0.391 . . . . 2.03 111.099 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -76.03 -45.52 33.98 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.612 0.244 . . . . 2.48 110.385 176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.21 -42.35 84.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.562 . . . . 0.63 110.312 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.454 HD12 HG12 ' A' ' 113' ' ' ILE . 1.2 mm? -74.35 -10.04 59.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.382 -0.826 . . . . 1.4 111.236 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 64.3 t-80 -83.59 -47.9 10.8 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.002 -1.11 . . . . 2.48 108.002 171.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -15.97 63.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.724 -1.126 . . . . 0.64 113.783 -171.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.548 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -66.01 -67.89 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 CA-C-N 117.907 0.321 . . . . 1.68 111.582 -176.677 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.548 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.3 p 67.55 10.58 7.85 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.299 0.64 . . . . 1.03 112.703 169.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.499 ' H ' HG22 ' A' ' 104' ' ' VAL . 21.8 t70 -84.48 125.34 32.29 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.338 -0.616 . . . . 2.07 109.338 170.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -53.0 -50.37 64.32 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.038 1.125 . . . . 3.18 114.038 -164.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 14.1 pt-20 -70.78 -30.09 66.47 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.611 -0.436 . . . . 2.78 110.978 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 71' ' ' VAL . 97.6 mttt -69.48 -39.44 77.68 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.048 -0.408 . . . . 1.81 110.733 173.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.541 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 52.3 mtmt -71.67 -14.37 62.02 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.713 0.768 . . . . 1.14 111.672 175.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.513 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 28.6 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.294 -1.321 . . . . 1.69 109.178 170.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 -71.2 -35.05 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.411 -0.813 . . . . 0.92 109.959 177.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.469 HD11 HG11 ' A' ' 104' ' ' VAL . 47.7 mt -60.77 -42.36 91.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.586 -0.734 . . . . 0.72 110.721 178.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.31 -41.31 61.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.576 -0.738 . . . . 0.63 110.845 177.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 35' ' ' LYS . 80.5 m-20 -74.94 -57.96 3.58 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.008 -0.542 . . . . 1.73 111.729 -174.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.67 -23.61 15.87 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.284 0.476 . . . . 1.62 112.284 -171.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.17 -70.33 0.63 Allowed Glycine 0 CA--C 1.536 1.346 0 N-CA-C 114.81 0.684 . . . . 0.56 114.81 -175.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 27.8 Cg_exo -62.16 -28.17 79.37 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.732 2.288 . . . . 0.65 113.152 -176.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' HB1' HD11 ' A' ' 42' ' ' LEU . . . -76.92 -33.47 57.74 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.0 0.429 . . . . 0.46 110.985 177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 34.6 t -63.82 -25.71 68.29 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.808 -0.633 . . . . 1.17 109.771 173.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 35.0 mmtp -59.12 -53.11 62.1 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.189 -0.46 . . . . 1.47 111.962 176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.8 ptpt -67.21 -30.02 69.84 Favored 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 109.444 -0.576 . . . . 1.5 109.444 175.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.589 HD13 ' HB3' ' A' ' 60' ' ' LEU . 68.5 mt -63.73 -47.76 89.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.646 1.213 . . . . 0.54 112.311 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.1 m-85 -80.57 24.26 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 113.001 -1.909 . . . . 1.28 110.822 171.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 33.3 0.0 OUTLIER Glycine 0 N--CA 1.479 1.551 0 C-N-CA 128.094 2.759 . . . . 0.86 119.249 -148.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG11 ' HB2' ' A' ' 94' ' ' LYS . 3.5 t -38.96 -52.81 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.591 0.71 . . . . 1.53 110.183 168.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -79.18 80.05 5.56 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.018 -0.992 . . . . 2.77 108.757 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.1 m -75.08 -24.95 58.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.659 -0.7 . . . . 3.63 111.276 -174.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.644 -0.693 . . . . 5.56 110.636 -179.758 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 111.923 -0.471 . . . . 12.2 111.923 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.6 m -124.34 114.17 27.53 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.381 -0.229 . . . . 10.23 110.381 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -77.91 48.53 2.67 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.845 2.363 . . . . 9.01 111.983 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.426 ' HB3' ' CD2' ' A' ' 1' ' ' HIS . 50.8 mt-10 -101.24 88.36 3.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.852 -0.613 . . . . 8.29 111.512 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -96.53 87.42 4.4 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.646 -0.872 . . . . 5.37 108.646 172.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' -1' ' ' GLU . 91.9 m-70 -81.83 145.89 30.17 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.802 -0.635 . . . . 5.61 110.324 -177.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 29.0 p80 -85.02 -166.34 1.47 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 3.83 110.071 178.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -67.78 73.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 1.22 111.401 179.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.9 p -83.06 165.29 19.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.399 -0.364 . . . . 0.96 110.181 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 3.4 tm? -64.04 -36.14 83.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.652 0.263 . . . . 1.67 110.938 176.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.591 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 25.0 mt-10 -60.31 -47.07 87.58 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 108.703 -0.851 . . . . 1.8 108.703 168.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.3 t -53.9 -19.81 5.08 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 119.381 0.991 . . . . 1.14 113.602 -174.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.461 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 8.3 p -99.47 -15.82 18.56 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 114.473 1.286 . . . . 1.02 114.473 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.591 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 79.9 mt -54.74 -30.88 57.55 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 117.331 2.345 . . . . 1.04 117.331 -162.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -103.2 3.14 35.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.773 -1.103 . . . . 1.32 110.85 178.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 31.7 p -126.86 -95.71 0.44 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.258 0.551 . . . . 0.69 112.114 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.461 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 51.0 m80 -58.87 -42.55 89.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.426 -0.806 . . . . 1.5 111.597 -178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -107.6 24.18 13.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.622 0.725 . . . . 1.13 112.678 -170.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.2 pttt -71.73 -16.19 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.124 -0.944 . . . . 1.69 112.076 -175.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -75.9 -4.86 43.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.989 -0.55 . . . . 0.35 110.804 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 88.3 mt -76.62 147.25 37.7 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.797 -0.816 . . . . 0.31 108.797 172.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.534 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 3.6 m -83.29 162.19 21.21 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.754 -1.112 . . . . 1.24 109.452 178.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -55.63 -48.25 75.25 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 118.138 0.427 . . . . 1.91 110.247 -174.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.38 -36.57 71.42 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.353 0.408 . . . . 2.49 110.571 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.73 ' O ' HD23 ' A' ' 24' ' ' LEU . 5.4 mm100 -72.41 -46.86 53.24 Favored 'General case' 0 C--O 1.219 -0.547 0 N-CA-C 109.119 -0.697 . . . . 1.57 109.119 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.1 mttt -55.25 -47.56 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.975 0.417 . . . . 0.95 110.164 178.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -67.08 -30.58 70.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.689 -0.687 . . . . 0.67 111.027 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -62.38 -52.3 64.13 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 117.778 0.263 . . . . 1.43 110.852 170.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.1 mm? -60.91 -41.53 96.31 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 122.632 0.373 . . . . 1.33 110.23 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -61.44 -41.84 97.83 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 116.084 -0.507 . . . . 1.06 110.689 177.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -64.55 -42.19 95.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.063 -0.517 . . . . 3.24 110.197 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.463 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 5.6 mtm -59.11 -55.07 39.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.13 -0.486 . . . . 0.92 111.757 176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -58.64 -40.52 83.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 2.44 111.073 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 tmtm? -63.8 -45.79 88.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 2.69 110.857 179.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -81.07 0.19 37.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.773 0.797 . . . . 2.14 111.447 -172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.6 23.76 22.82 Favored Glycine 0 N--CA 1.447 -0.632 0 CA-C-N 115.023 -0.99 . . . . 0.63 113.214 172.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -68.04 136.13 53.34 Favored 'General case' 0 N--CA 1.446 -0.663 0 N-CA-C 108.521 -0.918 . . . . 1.65 108.521 171.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.56 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -69.39 153.09 44.1 Favored 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.858 -0.61 . . . . 0.59 110.376 -173.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -53.52 -37.78 63.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 117.946 0.339 . . . . 2.97 110.983 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -65.24 -13.33 58.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.902 0.334 . . . . 2.82 111.902 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.463 ' O ' ' HE1' ' A' ' 27' ' ' MET . 29.3 mt-10 -90.13 -24.88 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 122.488 1.137 . . . . 0.85 110.396 177.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.56 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.6 mm? -73.5 -43.54 59.85 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 113.014 -1.903 . . . . 1.22 109.857 169.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -58.61 -23.1 58.1 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 114.957 -1.02 . . . . 2.72 110.417 176.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.3 -41.42 11.55 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 113.501 0.926 . . . . 0.49 113.501 -176.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.419 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.1 tppt? -61.77 -47.79 83.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.245 -0.889 . . . . 1.34 110.782 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.9 mt -64.16 -42.76 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.39 111.115 -179.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.9 mt -63.15 -34.77 78.33 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.028 0.381 . . . . 0.45 112.028 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 28.7 t-80 -64.27 -46.01 85.56 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.072 -0.513 . . . . 1.23 110.124 174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.643 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.6 m-30 -58.19 -45.5 87.46 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.751 0.786 . . . . 0.68 110.164 175.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.489 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 61.5 t80 -57.6 -45.91 84.73 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.323 -1.308 . . . . 0.58 111.494 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -75.97 -20.0 58.26 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.64 -0.424 . . . . 1.2 111.772 -173.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 11.1 pt-20 -93.84 10.89 31.32 Favored 'General case' 0 CA--C 1.531 0.222 0 O-C-N 121.988 -0.445 . . . . 2.22 111.178 178.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.459 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 55.3 mt -70.63 -161.3 0.05 Allowed 'General case' 0 N--CA 1.455 -0.195 0 CA-C-O 121.225 0.536 . . . . 1.11 112.11 179.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 9.6 pt-20 -168.94 137.27 2.03 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.757 -0.656 . . . . 2.83 111.966 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 44.9 -119.78 3.39 Favored Glycine 0 C--N 1.332 0.343 0 N-CA-C 114.875 0.71 . . . . 0.74 114.875 169.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -77.5 -22.24 51.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.686 -0.257 . . . . 2.37 110.996 -176.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.13 93.71 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 107.989 -1.115 . . . . 0.43 107.989 173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.489 ' HE3' ' O ' ' A' ' 45' ' ' TYR . 5.2 tmtp? -58.71 -56.71 18.62 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.001 -1.454 . . . . 1.62 109.835 178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -54.01 -45.13 71.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.876 -0.602 . . . . 2.49 111.165 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -66.86 -47.03 73.18 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 116.937 -0.12 . . . . 2.27 110.889 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.09 -51.62 68.38 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 119.821 -0.752 . . . . 0.37 109.473 178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.4 m -50.96 -45.59 60.9 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.152 0.501 . . . . 0.51 112.248 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -65.47 -28.79 69.47 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.448 -0.796 . . . . 1.71 111.795 177.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.403 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 34.8 m-70 -79.05 -46.16 18.67 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.797 -0.446 . . . . 0.77 109.797 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.4 mp -59.8 -33.5 71.81 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-N 115.963 -0.562 . . . . 0.62 111.549 171.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.61 -51.98 59.85 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 109.905 -0.406 . . . . 0.67 109.905 175.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -55.3 -40.53 76.41 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.452 -0.659 . . . . 0.59 111.452 173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.28 -46.56 92.73 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.18 -0.533 . . . . 0.5 111.826 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.6 t -61.56 -41.94 98.12 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.001 0.429 . . . . 1.13 110.165 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 54.1 ttp180 -60.3 -45.65 92.63 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.594 -0.73 . . . . 3.8 110.576 178.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -66.97 -37.14 83.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.373 -0.376 . . . . 2.02 111.277 178.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.588 ' O ' HG12 ' A' ' 71' ' ' VAL . 48.8 mt -68.33 -39.47 80.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.849 0.357 . . . . 0.81 110.153 175.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.652 ' O ' HG12 ' A' ' 72' ' ' VAL . 12.3 tp -66.46 -25.96 66.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.445 0.641 . . . . 1.71 109.397 176.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 90.9 mttt -67.26 -14.05 62.55 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.497 -1.228 . . . . 2.22 110.651 173.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -101.39 -59.04 1.77 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 121.833 0.825 . . . . 1.76 109.715 177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.623 HG23 ' HB3' ' A' ' 109' ' ' LYS . 4.3 p -67.54 -46.86 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.836 0 CA-C-N 114.373 -1.285 . . . . 1.46 112.221 -170.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.871 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.5 OUTLIER -94.04 -12.21 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 CA-C-O 121.426 0.631 . . . . 0.8 110.045 175.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.95 163.55 38.05 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.337 -0.847 . . . . 0.55 112.209 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -64.13 -23.08 67.19 Favored 'General case' 0 C--O 1.221 -0.446 0 N-CA-C 109.865 -0.421 . . . . 2.31 109.865 176.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -50.21 -65.86 0.49 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.467 -0.788 . . . . 2.0 112.048 174.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.616 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.3 mmmt -80.69 -31.93 36.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-N 116.215 -0.448 . . . . 1.43 110.716 -171.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.82 -30.18 71.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.24 -0.436 . . . . 0.7 110.096 176.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -67.19 -36.31 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.023 -0.535 . . . . 0.73 110.05 176.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 83' ' ' LEU . 28.2 mt-10 -78.73 -28.11 44.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.528 -0.76 . . . . 1.33 111.135 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 43.2 mt -75.55 -34.18 60.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.201 -0.454 . . . . 0.98 110.588 176.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -67.66 -47.86 68.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.515 . . . . 2.12 110.219 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -69.24 -33.89 73.96 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.367 -0.605 . . . . 1.54 109.367 178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -53.0 -57.4 10.49 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.455 -0.572 . . . . 1.37 109.455 174.09 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -50.45 -55.66 14.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.043 -0.981 . . . . 2.27 111.444 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.51 -33.19 74.4 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.413 0.523 . . . . 2.52 112.413 -177.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.7 t -83.43 -3.8 57.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.154 0.502 . . . . 1.52 110.737 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.97 43.05 1.14 Allowed Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.57 -0.824 . . . . 0.92 112.229 173.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.42 120.45 26.9 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.886 -0.783 . . . . 0.83 108.886 169.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.3 t -73.22 176.45 5.89 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 114.659 -1.155 . . . . 1.6 109.214 177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -55.02 -38.07 67.46 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.948 0.404 . . . . 2.96 111.019 -176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -73.61 -42.6 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 2.34 111.755 -176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 96' ' ' LYS . 42.7 mt-10 -54.07 -42.18 69.0 Favored 'General case' 0 CA--C 1.508 -0.655 0 C-N-CA 123.612 0.765 . . . . 1.45 110.817 175.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.619 ' O ' HG23 ' A' ' 97' ' ' VAL . 12.2 mt -70.21 -35.84 74.16 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.416 -0.957 . . . . 1.08 108.416 174.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 61.2 tttm -66.01 -41.23 91.28 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 119.475 1.034 . . . . 2.06 109.7 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.47 -15.41 40.25 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.208 -0.905 . . . . 0.93 112.089 -175.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 92' ' ' GLU . 62.9 mmtt -71.9 -64.06 1.01 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 114.511 -1.222 . . . . 3.11 111.251 165.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 93' ' ' LEU . 92.7 t -50.01 -40.8 17.19 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.167 0 CA-C-N 114.637 -1.165 . . . . 0.97 113.331 -173.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 62.9 mm-40 -58.63 -41.99 87.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.83 0.348 . . . . 2.03 110.953 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -73.4 -35.85 65.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.32 -0.4 . . . . 2.48 110.127 -179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.871 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.92 -42.39 94.75 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.844 -0.616 . . . . 0.63 110.395 178.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 91.8 mt -73.72 -18.24 61.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.893 -0.594 . . . . 1.4 112.06 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 -85.93 -48.72 8.45 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 119.538 -0.865 . . . . 2.48 109.388 175.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.38 2.78 0.55 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 113.461 0.911 . . . . 0.64 113.461 -172.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.486 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.5 p -95.44 148.48 5.12 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.016 0 CA-C-O 120.966 0.412 . . . . 1.68 110.21 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 14.0 p -146.83 10.66 1.05 Allowed 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.041 0.756 . . . . 1.03 113.041 -176.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.487 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 6.4 t70 -84.27 124.15 30.91 Favored 'General case' 0 C--N 1.318 -0.792 0 C-N-CA 119.883 -0.727 . . . . 2.07 109.511 171.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.47 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 30.6 tt0 -56.19 -46.64 79.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 113.4 0.889 . . . . 3.18 113.4 -163.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.532 ' OE2' ' HG3' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -65.86 -22.32 66.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.628 -0.26 . . . . 2.78 111.219 -177.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.623 ' HB3' HG23 ' A' ' 71' ' ' VAL . 56.2 mttp -77.29 -43.03 34.7 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.447 0.641 . . . . 1.81 110.258 173.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.412 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 54.1 mtmt -69.05 -13.32 62.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.691 0.758 . . . . 1.14 111.619 179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 27.5 mm-40 -65.77 -39.72 91.3 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.62 -1.173 . . . . 1.69 110.336 168.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -69.47 -33.23 72.6 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.766 -0.457 . . . . 0.92 109.766 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.486 HD11 ' CG1' ' A' ' 104' ' ' VAL . 53.4 mt -62.04 -47.6 92.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.72 111.369 177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -75.56 -42.3 52.62 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 116.181 -0.463 . . . . 0.63 111.081 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -77.72 -54.22 6.62 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.175 -0.466 . . . . 1.73 111.921 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -100.55 -21.43 15.31 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.625 -0.716 . . . . 1.62 112.555 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.451 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -52.43 -57.97 12.26 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 114.688 0.635 . . . . 0.56 114.688 -174.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.71 -41.6 61.05 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.035 2.49 . . . . 0.65 113.346 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.518 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -82.02 -28.95 32.23 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.25 -0.432 . . . . 0.46 111.899 -178.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 31.0 t -56.34 -30.7 62.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.494 -0.321 . . . . 1.17 110.542 169.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.507 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 6.3 mmpt? -61.73 -52.53 63.89 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.443 -0.344 . . . . 1.47 110.986 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -64.25 -29.75 70.83 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.495 -0.558 . . . . 1.5 109.495 176.196 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 119' ' ' ALA . 61.8 mt -66.01 -47.73 84.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 122.616 1.198 . . . . 0.54 112.68 -177.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.528 ' O ' ' N ' ' A' ' 126' ' ' VAL . 1.3 m-85 -80.75 23.26 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 113.147 -1.842 . . . . 1.28 110.804 172.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -16.68 29.41 0.0 OUTLIER Glycine 0 N--CA 1.486 1.97 0 C-N-CA 127.893 2.663 . . . . 0.86 119.35 -146.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.528 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.4 m -52.83 -22.24 3.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 C-N-CA 123.648 0.779 . . . . 1.53 111.424 169.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.507 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 52.2 t-80 -64.4 -16.81 63.02 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.153 -0.476 . . . . 2.77 110.955 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.2 m 64.52 47.7 2.88 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.478 -0.783 . . . . 3.63 109.929 -178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.248 0.998 0 CA-C-N 115.585 -0.734 . . . . 5.56 110.647 -178.588 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 111.748 -0.541 . . . . 12.2 111.748 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 19.9 m 59.34 74.25 0.6 Allowed Pre-proline 0 CA--C 1.533 0.292 0 CA-C-O 120.981 0.42 . . . . 10.23 110.69 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -77.2 158.91 33.6 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.552 2.168 . . . . 9.01 112.533 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 54.51 72.94 0.43 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.757 -0.656 . . . . 8.29 111.62 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -70.45 104.8 2.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.583 -0.735 . . . . 5.37 109.799 175.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 72.6 m80 -75.56 138.4 41.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.731 -0.668 . . . . 5.61 109.552 178.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -88.01 155.53 19.77 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.22 -0.446 . . . . 3.83 110.803 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.413 ' CG ' HG12 ' A' ' 67' ' ' ILE . 4.2 m-85 58.22 62.71 1.93 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.989 0.806 . . . . 1.22 110.558 176.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.0 p -116.28 -149.86 0.45 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.363 -0.38 . . . . 0.96 110.4 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.2 mt -101.37 -68.42 0.82 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.944 0.878 . . . . 1.67 111.273 -171.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.635 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 34.9 mt-10 -50.92 -37.32 43.31 Favored 'General case' 0 CA--C 1.522 -0.111 0 CA-C-N 113.741 -1.572 . . . . 1.8 110.44 171.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.2 p -56.04 -17.47 7.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 118.723 0.692 . . . . 1.14 112.164 -177.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.477 ' CB ' HD23 ' A' ' 13' ' ' LEU . 11.8 m -99.02 -21.25 16.31 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 114.31 1.226 . . . . 1.02 114.31 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 54.3 mt -58.91 -29.03 66.76 Favored 'General case' 0 N--CA 1.463 0.204 0 N-CA-C 116.08 1.881 . . . . 1.04 116.08 -160.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -100.62 -3.53 30.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.812 -1.086 . . . . 1.32 109.941 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.0 p -124.4 -97.8 0.43 Allowed 'General case' 0 N--CA 1.437 -1.088 0 N-CA-C 112.485 0.55 . . . . 0.69 112.485 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.617 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 26.9 m170 -60.98 -42.56 98.62 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.488 -0.324 . . . . 1.5 111.367 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.477 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -107.01 23.43 14.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.742 0.782 . . . . 1.13 112.596 -171.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.634 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -65.06 -23.99 67.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.572 -1.195 . . . . 1.69 112.099 -174.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.2 p-90 -73.93 -4.47 35.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.171 -0.468 . . . . 0.35 110.993 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -75.81 143.42 41.9 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 121.732 0.777 . . . . 0.31 109.24 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.2 m -73.16 162.65 29.18 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.484 -1.235 . . . . 1.24 109.608 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.84 -47.26 83.19 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 118.68 0.673 . . . . 1.91 109.337 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -57.77 -32.49 67.56 Favored 'General case' 0 N--CA 1.439 -0.997 0 CA-C-N 115.759 -0.655 . . . . 2.49 110.354 177.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.69 ' O ' HD23 ' A' ' 24' ' ' LEU . 98.0 mt-30 -74.18 -44.93 51.55 Favored 'General case' 0 C--O 1.221 -0.445 0 N-CA-C 110.058 -0.349 . . . . 1.57 110.058 176.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.9 mttp -56.12 -48.55 75.98 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.13 0.49 . . . . 0.95 109.781 176.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 22.9 t70 -65.86 -28.62 69.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.475 -0.784 . . . . 0.67 111.356 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -65.91 -53.94 32.86 Favored 'General case' 0 N--CA 1.444 -0.745 0 O-C-N 122.063 -0.398 . . . . 1.43 110.705 171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.4 mm? -64.1 -42.68 96.82 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 123.189 0.596 . . . . 1.33 111.422 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 95.9 mt -63.42 -35.79 81.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.083 0.468 . . . . 1.06 110.4 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 16.5 ttmm -62.67 -43.19 99.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.449 -0.796 . . . . 3.24 109.805 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.438 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 55.6 mmm -52.57 -54.94 26.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.792 -1.094 . . . . 0.92 112.163 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.425 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 8.5 tmtm? -61.08 -40.88 95.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.972 -0.558 . . . . 2.44 111.439 -178.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -74.92 -19.94 59.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 2.69 112.004 -176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -94.49 -7.12 42.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.874 0.845 . . . . 2.14 110.732 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 93.95 23.45 22.8 Favored Glycine 0 N--CA 1.445 -0.748 0 CA-C-N 114.755 -1.112 . . . . 0.63 112.895 173.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.1 mmtm -66.67 145.46 55.54 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.323 -0.991 . . . . 1.65 108.323 171.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -74.46 154.54 38.68 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.299 -0.41 . . . . 0.59 110.42 -177.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -55.31 -36.03 65.78 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.812 -0.44 . . . . 2.97 109.812 178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -55.52 -25.16 35.85 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.633 -0.712 . . . . 2.82 111.364 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -88.58 -27.2 21.53 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 122.527 1.156 . . . . 0.85 111.062 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.5 mm? -72.21 -45.44 60.27 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 113.027 -1.897 . . . . 1.22 109.866 171.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -58.07 -24.69 59.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.47 -1.241 . . . . 2.72 110.469 176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.5 -41.35 11.46 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.502 -0.772 . . . . 0.49 112.969 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.43 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.4 tppt? -57.89 -50.85 71.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.128 -0.942 . . . . 1.34 111.248 176.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.0 mt -64.95 -45.36 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.691 -0.231 . . . . 0.39 110.659 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.58 -33.67 73.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.243 -0.435 . . . . 0.45 111.607 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 26.5 t-80 -64.06 -52.91 57.12 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.93 -0.577 . . . . 1.23 110.159 174.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.7 m-85 -56.53 -45.02 81.35 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.47 0.652 . . . . 0.68 110.724 177.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -53.49 -47.27 69.97 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.358 -1.292 . . . . 0.58 111.765 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -73.64 -21.76 60.19 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 120.52 -0.472 . . . . 1.2 111.06 -175.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 57.0 mt-10 -89.67 14.31 12.02 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 122.105 -0.372 . . . . 2.22 110.74 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.5 mt -75.83 -162.12 0.2 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.446 0.641 . . . . 1.11 112.652 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 25.7 mm-40 -132.95 -156.05 0.72 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 114.988 -1.005 . . . . 2.83 110.314 -169.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -65.16 -85.51 0.07 OUTLIER Glycine 0 CA--C 1.522 0.515 0 C-N-CA 120.972 -0.633 . . . . 0.74 113.103 -177.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -67.21 -29.6 69.3 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.277 -0.268 . . . . 2.37 110.277 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.72 -46.26 87.73 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.835 0.35 . . . . 0.43 110.478 -179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 10.4 tmtt? -65.77 -47.94 73.5 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.664 -0.698 . . . . 1.62 109.155 -179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.52 -46.81 76.98 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 123.626 0.579 . . . . 2.49 111.032 177.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -67.6 -46.33 72.9 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.042 -0.526 . . . . 2.27 110.26 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.91 -49.91 75.54 Favored 'General case' 0 N--CA 1.445 -0.684 0 C-N-CA 120.08 -0.648 . . . . 0.37 109.956 178.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.468 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.7 m -53.16 -44.46 67.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.159 0.504 . . . . 0.51 112.259 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -68.33 -26.03 65.41 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.242 -0.89 . . . . 1.71 111.623 177.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.508 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 45.7 m-70 -76.46 -48.92 17.99 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 109.408 -0.59 . . . . 0.77 109.408 176.533 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.35 -32.98 67.29 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.721 -0.672 . . . . 0.62 111.458 172.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG3' ' O ' ' A' ' 57' ' ' THR . 91.1 mttt -62.2 -55.63 26.7 Favored 'General case' 0 CA--C 1.512 -0.504 0 N-CA-C 109.964 -0.384 . . . . 0.67 109.964 175.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.62 -38.17 62.93 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.026 -0.607 . . . . 0.59 111.895 175.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.617 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.39 -53.11 47.46 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.324 -0.465 . . . . 0.5 112.67 174.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.4 t -69.57 -28.19 65.77 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.008 0.432 . . . . 1.13 110.394 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.553 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 25.0 tpt180 -67.97 -16.43 64.05 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 116.12 -0.491 . . . . 3.8 110.472 177.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 16.0 mm-40 -91.2 -39.98 11.8 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 122.024 -0.422 . . . . 2.02 110.321 172.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.706 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 76.9 mt -73.12 -71.07 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.81 111.503 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.522 ' O ' HG12 ' A' ' 71' ' ' VAL . 17.1 tp -62.3 -44.73 95.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.593 -0.73 . . . . 1.71 110.712 -170.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 22.2 ttpt -49.81 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.316 1.01 . . . . 2.22 109.77 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.4 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.6 OUTLIER -34.92 -35.33 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.735 1.383 . . . . 1.76 114.735 166.349 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.706 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -70.77 -41.71 77.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 CA-C-N 118.681 0.673 . . . . 1.46 111.877 -172.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 ' HG2' ' A' ' 76' ' ' LYS . 9.6 p -79.29 -25.27 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 108.175 -1.046 . . . . 0.8 108.175 164.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.89 154.72 10.45 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.808 -0.71 . . . . 0.55 112.021 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -57.97 -42.94 86.07 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.055 -0.35 . . . . 2.31 110.055 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 32.8 tt0 -40.98 -65.8 0.39 Allowed 'General case' 0 C--O 1.233 0.212 0 O-C-N 123.955 0.784 . . . . 2.0 111.389 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.55 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -68.91 -44.23 73.55 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.906 -1.043 . . . . 1.43 111.78 -172.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -68.33 -23.96 64.77 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.821 0.343 . . . . 0.7 111.175 -177.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.24 -35.04 68.73 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.499 -0.556 . . . . 0.73 109.499 174.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.1 mt-10 -68.25 -34.99 77.22 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.64 -0.709 . . . . 1.33 110.508 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.5 mt -76.53 -31.72 57.81 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.409 -0.814 . . . . 0.98 110.516 177.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 tppp? -64.32 -53.3 50.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.924 -0.58 . . . . 2.12 109.9 175.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -66.16 -35.53 80.71 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.483 -0.562 . . . . 1.54 109.483 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 1.1 mt -59.39 -44.38 92.79 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.614 -0.514 . . . . 1.37 109.614 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -55.68 -55.46 31.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.595 -0.729 . . . . 2.27 111.006 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -71.82 -21.45 61.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.333 -0.394 . . . . 2.52 111.942 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 36.2 t -77.75 -15.78 58.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.431 0.634 . . . . 1.52 109.744 177.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 117.07 40.34 0.76 Allowed Glycine 0 N--CA 1.442 -0.937 0 CA-C-N 115.533 -0.758 . . . . 0.92 112.535 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.2 126.76 33.44 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 108.344 -0.984 . . . . 0.83 108.344 175.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.444 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 65.5 p -72.94 179.76 3.58 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 114.017 -1.447 . . . . 1.6 110.224 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -60.13 -24.82 64.99 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.61 -0.515 . . . . 2.96 109.61 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -87.93 -41.67 13.01 Favored 'General case' 0 C--O 1.219 -0.511 0 N-CA-C 112.814 0.672 . . . . 2.34 112.814 -174.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.752 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.6 mm-40 -61.59 -36.53 80.94 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 121.052 0.453 . . . . 1.45 110.328 176.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 97' ' ' VAL . 37.6 mt -72.46 -44.41 62.38 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 107.333 -1.358 . . . . 1.08 107.333 170.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 37.0 ttmt -66.95 -43.57 82.82 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-N 120.681 1.582 . . . . 2.06 110.398 -169.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.39 -53.18 7.97 Favored 'General case' 0 N--CA 1.432 -1.33 0 CA-C-N 115.258 -0.883 . . . . 0.93 111.306 -175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.8 OUTLIER -60.66 -21.88 63.27 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 112.825 0.676 . . . . 3.11 112.825 -178.25 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 93' ' ' LEU . 15.8 t -73.4 -35.42 45.91 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 115.701 -0.681 . . . . 0.97 110.488 176.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 40.6 mt-10 -68.12 -24.62 65.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.781 0.324 . . . . 2.03 110.791 -179.241 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -82.23 -35.4 28.23 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.027 -0.731 . . . . 2.48 109.027 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -62.16 -56.58 17.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.163 -0.926 . . . . 0.63 110.842 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.15 -6.34 38.64 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.571 -0.741 . . . . 1.4 111.281 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.53 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 37.4 t-80 -85.23 -48.03 9.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 108.012 -1.107 . . . . 2.48 108.012 172.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.51 -10.77 48.01 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 113.38 0.882 . . . . 0.64 113.38 -170.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.588 HG13 ' H ' ' A' ' 105' ' ' THR . 0.8 OUTLIER -69.64 -69.31 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 O-C-N 122.114 -0.366 . . . . 1.68 111.531 -174.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.588 ' H ' HG13 ' A' ' 104' ' ' VAL . 22.9 p 68.9 9.06 7.19 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.62 0.768 . . . . 1.03 112.91 171.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 104' ' ' VAL . 37.9 t70 -85.72 128.57 34.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.379 -0.6 . . . . 2.07 109.379 168.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -56.98 -55.18 38.04 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.39 0.885 . . . . 3.18 113.39 -163.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 4.2 mp0 -58.91 -39.68 82.24 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.49 . . . . 2.78 110.564 -179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.477 ' HD3' ' OD2' ' A' ' 106' ' ' ASP . 0.3 OUTLIER -61.32 -45.47 94.28 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.944 -0.571 . . . . 1.81 111.008 178.516 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 8.9 mtmp? -75.5 -12.42 60.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.013 0.435 . . . . 1.14 111.689 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.5 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 14.6 mm100 -66.1 -39.08 89.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.581 -0.736 . . . . 1.69 109.42 169.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HB2' HG21 ' A' ' 71' ' ' VAL . 45.6 m-85 -76.15 -28.04 57.23 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.563 -0.532 . . . . 0.92 109.563 177.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.478 HD11 HG11 ' A' ' 104' ' ' VAL . 69.1 mt -68.48 -40.49 82.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.263 -0.426 . . . . 0.72 110.971 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.57 -41.52 62.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.655 0.264 . . . . 0.63 110.333 175.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.02 -57.34 3.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.093 0.473 . . . . 1.73 111.886 -176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -96.1 -25.1 16.01 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 116.055 -0.521 . . . . 1.62 111.494 -170.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -49.13 -65.14 2.88 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 121.356 -0.45 . . . . 0.56 114.172 -175.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.537 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 51.6 Cg_exo -54.98 -49.26 17.24 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.754 2.303 . . . . 0.65 113.107 -177.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.528 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -67.16 -31.88 72.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.46 111.451 179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 45.3 t -61.86 -28.93 69.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.857 -0.61 . . . . 1.17 110.772 173.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.537 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.0 OUTLIER -62.26 -44.64 96.08 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.166 0.432 . . . . 1.47 112.166 179.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.7 ptmt -69.87 -30.52 68.0 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 108.941 -0.763 . . . . 1.5 108.941 173.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 119' ' ' ALA . 60.9 mt -64.34 -47.01 91.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 123.108 1.432 . . . . 0.54 111.784 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.51 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.4 m-30 -79.06 23.09 0.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 112.26 -2.245 . . . . 1.28 110.99 172.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -13.56 31.57 0.0 OUTLIER Glycine 0 N--CA 1.483 1.818 0 C-N-CA 127.691 2.567 . . . . 0.86 119.3 -147.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.51 ' H ' ' C ' ' A' ' 124' ' ' TYR . 16.6 m -56.3 -22.57 14.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 C-N-CA 122.94 0.496 . . . . 1.53 110.681 167.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.483 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 44.0 t-80 -62.29 123.96 19.62 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.486 -0.561 . . . . 2.77 109.486 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.2 p -73.32 93.18 1.88 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.192 0.52 . . . . 3.63 110.976 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 6.6 t . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.372 -0.823 . . . . 5.56 109.454 179.075 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.947 0 N-CA-C 111.869 -0.492 . . . . 12.2 111.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 21.4 t -106.13 139.34 20.18 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.84 -0.43 . . . . 10.23 109.84 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.09 51.82 2.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.756 2.304 . . . . 9.01 112.592 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -60.51 -42.61 96.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.074 -0.512 . . . . 8.29 110.368 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -83.11 14.67 3.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.599 -0.728 . . . . 5.37 111.5 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.0 m170 54.67 -123.74 2.1 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.036 -0.529 . . . . 5.61 111.163 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 14.3 t-160 69.79 -56.07 0.58 Allowed 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.406 0.683 . . . . 3.83 110.592 -176.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -123.53 98.4 5.83 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.743 -0.465 . . . . 1.22 109.743 176.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.9 p -133.64 156.19 48.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.868 -0.419 . . . . 0.96 109.868 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.699 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 10.2 mp -71.44 -30.08 65.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.358 -0.383 . . . . 1.67 111.949 -178.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 49.2 mt-10 -61.2 -48.92 79.29 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 107.812 -1.181 . . . . 1.8 107.812 166.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.5 -17.91 9.82 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 119.404 1.002 . . . . 1.14 111.892 -178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.406 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 40.0 m -99.11 -21.39 16.19 Favored 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 114.615 1.339 . . . . 1.02 114.615 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.699 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 74.6 mt -51.74 -36.7 48.15 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 116.002 1.853 . . . . 1.04 116.002 -165.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -90.25 -10.96 42.35 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 113.873 -1.512 . . . . 1.32 110.35 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.9 p -123.0 -98.62 0.43 Allowed 'General case' 0 N--CA 1.433 -1.288 0 N-CA-C 112.301 0.482 . . . . 0.69 112.301 -172.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 4.8 m80 -58.22 -40.59 82.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.807 -0.633 . . . . 1.5 111.559 -176.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' HB3' HD12 ' A' ' 16' ' ' LEU . 73.9 mt -106.35 22.0 16.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.704 0.764 . . . . 1.13 112.677 -170.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.7 ptmt -69.29 -18.69 63.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 114.76 -1.109 . . . . 1.69 112.083 -174.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -76.57 -6.88 53.83 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.718 -0.673 . . . . 0.35 111.103 179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.436 HD12 ' HB3' ' A' ' 13' ' ' LEU . 88.0 mt -74.36 140.95 45.16 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 108.536 -0.913 . . . . 0.31 108.536 173.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.555 ' HB2' ' HG2' ' A' ' 20' ' ' GLN . 9.5 m -74.85 159.86 31.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.742 -1.117 . . . . 1.24 109.357 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -54.19 -48.49 70.9 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.25 0.477 . . . . 1.91 110.424 -177.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.31 -33.21 69.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 123.232 0.333 . . . . 2.49 110.393 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.747 ' O ' HD23 ' A' ' 24' ' ' LEU . 9.2 mm100 -73.14 -45.21 58.07 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.466 -0.568 . . . . 1.57 109.466 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.0 mttt -55.54 -47.9 75.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.4 0.619 . . . . 0.95 110.014 177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -66.14 -30.46 70.95 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.084 -0.962 . . . . 0.67 111.273 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 20' ' ' GLN . 15.5 tp10 -62.65 -54.25 42.21 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 117.747 0.249 . . . . 1.43 110.771 170.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.7 mm? -61.5 -44.05 97.77 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 122.52 0.328 . . . . 1.33 111.045 -177.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 81.1 mt -61.18 -38.13 85.41 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.349 -0.387 . . . . 1.06 111.273 179.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 3.24 110.322 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.2 mtm -62.33 -50.76 70.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.185 -0.461 . . . . 0.92 111.935 177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -58.23 -41.55 84.35 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 120.9 0.381 . . . . 2.44 110.518 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 41.3 ttmt -74.55 -31.56 62.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.178 -0.465 . . . . 2.69 112.194 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -80.53 1.46 29.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.141 0.972 . . . . 2.14 110.355 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.59 18.74 51.2 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 114.196 -1.366 . . . . 0.63 112.209 173.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -68.78 150.41 47.89 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 108.432 -0.951 . . . . 1.65 108.432 174.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.16 151.9 44.89 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 115.948 -0.569 . . . . 0.59 110.305 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.489 ' HA ' HD12 ' A' ' 37' ' ' LEU . 19.8 ttpp -58.3 -33.62 69.65 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.412 -0.588 . . . . 2.97 109.412 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.8 mmmt -56.13 -22.02 25.97 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.711 -0.677 . . . . 2.82 111.583 175.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -84.73 -23.99 29.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 122.59 1.186 . . . . 0.85 110.467 -178.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 34' ' ' LYS . 42.0 mt -79.07 -43.38 24.3 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 112.904 -1.953 . . . . 1.22 110.67 176.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -65.87 -17.03 64.37 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-O 120.93 0.395 . . . . 2.72 110.669 175.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 -41.21 12.12 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.368 0.604 . . . . 0.49 112.211 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.56 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 15.8 tppt? -65.31 -46.94 78.34 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 114.873 -1.058 . . . . 1.34 110.447 176.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -68.44 -43.93 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 CA-C-O 120.716 0.293 . . . . 0.39 110.954 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD22 ' HD3' ' A' ' 122' ' ' LYS . 14.5 mt -61.09 -35.97 78.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 0.45 111.379 177.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 34.7 t-80 -65.83 -49.46 68.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.357 -0.383 . . . . 1.23 110.182 174.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.1 m-30 -56.97 -41.57 78.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 121.39 0.614 . . . . 0.68 110.429 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -59.5 -46.9 87.5 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.623 -1.172 . . . . 0.58 111.26 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -77.25 -16.6 58.95 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.302 -0.408 . . . . 1.2 111.254 -172.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 8.4 pt-20 -99.97 12.0 37.92 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.453 -0.154 . . . . 2.22 111.144 178.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 52.1 mt -67.56 -163.09 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.643 0.735 . . . . 1.11 112.946 -176.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 45.9 mm-40 -117.36 -146.67 0.4 Allowed 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.054 -0.976 . . . . 2.83 109.656 -170.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -79.94 -84.83 0.63 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.708 -0.758 . . . . 0.74 112.13 178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -74.5 -22.13 59.21 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 110.356 -0.238 . . . . 2.37 110.356 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.423 ' HB3' ' HB2' ' A' ' 49' ' ' GLU . . . -59.53 -46.27 89.37 Favored 'General case' 0 CA--C 1.515 -0.392 0 CA-C-O 121.584 0.707 . . . . 0.43 109.2 175.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.4 tmtt? -63.67 -48.95 75.11 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.722 -1.126 . . . . 1.62 109.297 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -54.29 -44.93 72.35 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.456 0.473 . . . . 2.49 111.014 177.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -68.75 -47.6 65.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 116.554 -0.294 . . . . 2.27 110.316 -178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.81 -49.42 77.54 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.067 -0.653 . . . . 0.37 109.697 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 89.5 m -48.4 -47.33 37.79 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.385 0.612 . . . . 0.51 112.256 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.64 -25.93 65.97 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 114.896 -1.047 . . . . 1.71 112.024 178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.451 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 46.7 m-70 -80.28 -47.04 15.16 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 120.823 -0.351 . . . . 0.77 110.188 178.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.5 mp -59.86 -32.97 71.2 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 116.467 -0.333 . . . . 0.62 110.848 171.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -59.77 -56.7 18.49 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.618 -0.512 . . . . 0.67 109.618 173.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -54.65 -39.54 67.25 Favored Glycine 0 CA--C 1.522 0.483 0 C-N-CA 121.252 -0.499 . . . . 0.59 112.507 176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.01 -50.89 62.71 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.965 -0.636 . . . . 0.5 112.323 174.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 48.6 t -70.78 -23.06 62.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.429 0.633 . . . . 1.13 110.423 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.629 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 61.3 ttt180 -63.45 -26.88 68.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.604 -0.725 . . . . 3.8 110.053 175.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -91.36 -29.52 17.06 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.948 -0.569 . . . . 2.02 109.915 177.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.812 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 86.1 mt -85.57 -74.16 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 C-N-CA 120.661 -0.416 . . . . 0.81 111.767 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.607 ' O ' HG12 ' A' ' 71' ' ' VAL . 26.8 tp -71.73 -47.36 54.34 Favored 'General case' 0 CA--C 1.512 -0.511 0 CA-C-N 116.304 -0.407 . . . . 1.71 110.769 -169.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.629 ' HB3' ' O ' ' A' ' 65' ' ' ARG . 4.2 tmmm? -49.56 -76.71 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 115.491 -0.777 . . . . 2.22 108.994 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -36.23 -34.25 0.06 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 115.55 1.685 . . . . 1.76 115.55 166.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.812 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.3 OUTLIER -76.48 -35.05 25.65 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 119.008 0.822 . . . . 1.46 112.873 -171.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 100' ' ' ALA . 8.1 p -81.37 -18.65 11.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 N-CA-C 106.912 -1.514 . . . . 0.8 106.912 162.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.14 159.85 24.36 Favored Glycine 0 N--CA 1.436 -1.343 0 C-N-CA 120.579 -0.82 . . . . 0.55 111.979 176.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.32 -5.78 34.96 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.863 0.363 . . . . 2.31 110.128 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 25.2 tt0 -68.11 -70.17 0.28 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.29 0.567 . . . . 2.0 110.343 172.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 32.0 mmmt -69.44 -41.74 75.87 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.392 -0.822 . . . . 1.43 111.774 -169.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG2' ' A' ' 69' ' ' LYS . . . -62.09 -31.26 71.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.346 -0.388 . . . . 0.7 110.659 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.89 93.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.953 -0.567 . . . . 0.73 109.932 176.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 19.7 mt-10 -68.43 -32.79 73.07 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 115.637 -0.711 . . . . 1.33 110.682 -179.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD13 HG22 ' A' ' 97' ' ' VAL . 36.7 mt -75.38 -39.35 59.26 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.104 -0.498 . . . . 0.98 110.919 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.57 -41.91 83.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.517 -0.549 . . . . 2.12 109.517 178.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -70.02 -30.19 67.43 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.409 -0.589 . . . . 1.54 109.409 177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 7.3 mt -62.89 -52.38 63.29 Favored 'General case' 0 N--CA 1.445 -0.708 0 N-CA-C 109.337 -0.616 . . . . 1.37 109.337 175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -53.45 -52.15 60.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.613 -0.722 . . . . 2.27 111.027 177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -65.52 -28.76 69.41 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.735 0.643 . . . . 2.52 112.735 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 55.5 p -83.35 -7.19 59.62 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.3 -0.56 . . . . 1.52 110.806 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.43 41.6 1.35 Allowed Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.812 -0.708 . . . . 0.92 112.705 175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.15 138.57 31.38 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.998 0.904 . . . . 0.83 108.93 172.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 32.7 t -73.63 156.8 37.64 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.58 -1.645 . . . . 1.6 108.422 173.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 24.9 pttm -63.97 -8.34 11.17 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.576 0.227 . . . . 2.96 110.659 178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -79.12 -42.59 25.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.153 0.501 . . . . 2.34 109.932 174.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.759 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -66.85 -32.08 73.11 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 123.49 0.716 . . . . 1.45 109.479 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 97' ' ' VAL . 18.1 mt -71.57 -46.1 60.37 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 106.357 -1.72 . . . . 1.08 106.357 167.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -65.28 -36.49 84.25 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 120.647 1.567 . . . . 2.06 110.798 -169.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.92 -52.77 4.92 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.032 -0.985 . . . . 0.93 112.561 -176.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.759 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 12.7 mptt -65.47 -19.94 66.14 Favored 'General case' 0 CA--C 1.533 0.324 0 N-CA-C 112.465 0.542 . . . . 3.11 112.465 -176.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.501 ' O ' HD23 ' A' ' 101' ' ' LEU . 5.2 t -65.02 -43.19 96.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-N 115.67 -0.695 . . . . 0.97 110.323 174.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -64.78 -24.6 67.61 Favored 'General case' 0 C--O 1.219 -0.534 0 C-N-CA 120.875 -0.33 . . . . 2.03 110.782 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -68.11 -40.68 82.52 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.189 0.519 . . . . 2.48 109.953 174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -71.68 -49.59 38.2 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.579 -0.737 . . . . 0.63 110.729 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.7 mm? -73.71 -6.27 45.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.525 -0.761 . . . . 1.4 111.879 -177.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -90.22 -43.6 10.3 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.281 -0.637 . . . . 2.48 109.281 168.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.61 -14.6 44.87 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.397 0.518 . . . . 0.64 112.397 -172.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.669 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.6 p -76.83 143.4 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.122 0 CA-C-O 121.028 0.442 . . . . 1.68 110.375 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.0 p -140.94 5.13 1.92 Allowed 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 119.896 -0.722 . . . . 1.03 112.723 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 33.2 t70 -81.83 118.63 23.05 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.358 0.599 . . . . 2.07 110.289 170.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -56.52 -46.79 80.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.546 -1.206 . . . . 3.18 113.04 -164.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -55.83 -40.5 72.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.189 -0.46 . . . . 2.78 110.329 178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.592 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 63.5 mttp -63.62 -44.34 94.2 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.107 -0.497 . . . . 1.81 111.858 179.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.401 ' HA ' HD12 ' A' ' 113' ' ' ILE . 47.1 mtmt -74.29 -17.16 60.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.44 0.638 . . . . 1.14 111.399 -177.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.35 -37.51 83.35 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.702 -1.136 . . . . 1.69 109.837 172.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.451 ' HB2' HG21 ' A' ' 71' ' ' VAL . 22.1 m-85 -80.7 -24.84 38.56 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.234 0.54 . . . . 0.92 109.984 178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.669 ' CD1' HG11 ' A' ' 104' ' ' VAL . 61.5 mt -66.82 -41.08 87.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.226 0.536 . . . . 0.72 110.594 176.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.4 -38.73 68.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.701 -0.681 . . . . 0.63 109.972 173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -74.17 -59.66 2.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.743 -0.662 . . . . 1.73 111.747 -173.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.507 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.45 -24.15 15.28 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.317 -0.856 . . . . 1.62 111.877 -172.489 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.64 -66.51 1.39 Allowed Glycine 0 CA--C 1.532 1.152 0 N-CA-C 114.732 0.653 . . . . 0.56 114.732 -173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.97 -27.72 85.53 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.7 2.267 . . . . 0.65 113.182 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -83.49 -34.32 25.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.041 0.448 . . . . 0.46 110.721 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.507 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 88.1 m -56.02 -31.47 63.13 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.7 -0.682 . . . . 1.17 110.71 170.435 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -54.36 -52.75 60.63 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 111.83 0.308 . . . . 1.47 111.83 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.47 ' HD3' HD22 ' A' ' 42' ' ' LEU . 20.0 ptmt -68.04 -29.12 68.02 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 120.194 -0.602 . . . . 1.5 109.767 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 119' ' ' ALA . 57.0 mt -65.36 -44.82 94.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 122.739 1.257 . . . . 0.54 111.851 -179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.49 ' O ' ' N ' ' A' ' 126' ' ' VAL . 62.5 m-85 -84.45 23.23 1.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 112.915 -1.948 . . . . 1.28 110.447 173.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.86 30.84 0.0 OUTLIER Glycine 0 N--CA 1.482 1.742 0 C-N-CA 128.162 2.792 . . . . 0.86 120.002 -148.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.5 m -66.62 62.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.04 0 CA-C-N 117.427 0.614 . . . . 1.53 111.042 166.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -137.89 -176.29 4.38 Favored 'General case' 0 C--N 1.328 -0.359 0 O-C-N 121.952 -0.467 . . . . 2.77 111.091 -176.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.2 m 67.85 45.37 1.41 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.886 0.85 . . . . 3.63 110.263 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.9 m . . . . . 0 C--O 1.247 0.948 0 CA-C-N 114.941 -1.027 . . . . 5.56 109.423 175.159 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.633 0 N-CA-C 111.853 -0.499 . . . . 12.2 111.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' -2' ' ' PRO . 18.8 t -79.3 126.87 80.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 110.141 -0.318 . . . . 10.23 110.141 -179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' -3' ' ' SER . 6.2 Cg_exo -76.14 72.24 5.41 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.709 2.273 . . . . 9.01 111.883 178.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -69.2 -28.05 66.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.187 -0.46 . . . . 8.29 110.672 -179.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -147.81 82.08 1.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.247 0.546 . . . . 5.37 110.288 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -78.54 -48.83 14.45 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.39 -0.596 . . . . 5.61 109.39 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -169.86 -60.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.947 -0.57 . . . . 3.83 109.517 172.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -115.37 63.16 0.69 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.073 -0.512 . . . . 1.22 110.225 178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.436 ' HB ' ' OE1' ' A' ' 6' ' ' GLU . 17.0 p -86.04 164.1 17.54 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.955 0.407 . . . . 0.96 111.039 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.55 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 73.9 mt -71.18 -26.64 63.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.935 -0.575 . . . . 1.67 111.9 -177.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.609 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 15.5 mp0 -59.61 -45.71 91.11 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.007 -1.109 . . . . 1.8 108.007 168.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.8 t -55.99 -17.79 7.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 119.096 0.862 . . . . 1.14 112.702 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.469 ' CB ' HD23 ' A' ' 13' ' ' LEU . 47.2 p -99.93 -18.77 16.93 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.974 1.472 . . . . 1.02 114.974 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.609 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 65.8 mt -57.03 -27.45 61.66 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 116.996 2.221 . . . . 1.04 116.996 -160.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.24 4.38 28.77 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 114.903 -1.044 . . . . 1.32 111.174 176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.405 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 22.9 p -125.68 -95.95 0.45 Allowed 'General case' 0 C--N 1.316 -0.854 0 CA-C-O 121.304 0.573 . . . . 0.69 111.787 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -61.11 -40.33 93.35 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.491 -0.777 . . . . 1.5 111.655 -177.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD12 HD11 ' A' ' 16' ' ' LEU . 3.8 mm? -108.15 24.51 12.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.679 0.752 . . . . 1.13 112.641 -171.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.472 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 63.7 pttt -74.24 -14.42 60.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.924 -1.035 . . . . 1.69 111.941 -176.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.04 -8.48 57.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.592 . . . . 0.35 110.56 178.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 88.5 mt -74.1 146.74 43.34 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.724 -0.843 . . . . 0.31 108.724 173.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 m -79.36 158.67 27.38 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.51 -1.223 . . . . 1.24 109.206 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.8 tp60 -54.08 -47.51 71.64 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.888 -0.412 . . . . 1.91 109.888 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.627 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 11.8 pt-20 -56.46 -39.19 72.76 Favored 'General case' 0 N--CA 1.44 -0.946 0 CA-C-N 116.137 -0.483 . . . . 2.49 110.841 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 24.6 mt-30 -71.08 -39.9 71.88 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 109.9 -0.408 . . . . 1.57 109.9 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 98.0 mttt -62.19 -46.43 88.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.048 0.451 . . . . 0.95 109.862 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -66.62 -26.58 67.15 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.36 -0.836 . . . . 0.67 111.271 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.627 ' HG2' ' O ' ' A' ' 19' ' ' GLU . 43.5 mm-40 -62.58 -55.27 28.78 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 118.387 0.54 . . . . 1.43 110.873 168.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 HD21 ' CG1' ' A' ' 41' ' ' ILE . 10.4 mp -61.37 -43.14 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.481 0.182 . . . . 1.33 111.401 -178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 78.3 mt -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.836 0.351 . . . . 1.06 110.288 177.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.93 -48.53 80.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.844 -0.616 . . . . 3.24 110.872 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 81.9 mtp -60.45 -53.12 61.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.588 -0.733 . . . . 0.92 111.695 177.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -58.25 -41.13 83.57 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 122.654 0.382 . . . . 2.44 111.624 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -77.79 -25.56 49.09 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.661 0.615 . . . . 2.69 112.661 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -85.91 11.65 10.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.63 0.728 . . . . 2.14 111.417 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 82.85 19.65 62.92 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 114.589 -1.187 . . . . 0.63 112.098 169.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -70.47 147.81 49.0 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.212 -1.033 . . . . 1.65 108.212 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.02 150.21 45.83 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 116.021 -0.536 . . . . 0.59 110.338 -176.085 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -54.73 -33.16 60.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.941 0.4 . . . . 2.97 109.99 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.505 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 26.3 mmmt -57.04 -22.28 37.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.305 -0.862 . . . . 2.82 111.531 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -91.27 -25.53 19.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 122.705 1.24 . . . . 0.85 111.402 -178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' O ' ' A' ' 33' ' ' ALA . 3.6 mm? -78.33 -41.06 34.76 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 112.934 -1.939 . . . . 1.22 111.489 176.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.621 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 11.9 pt-20 -62.47 -18.02 60.86 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 121.499 0.666 . . . . 2.72 109.466 175.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.08 -38.99 13.17 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.072 -0.967 . . . . 0.49 113.075 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 20.9 tptt -62.99 -47.92 81.08 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.672 -0.695 . . . . 1.34 109.763 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.485 ' CG1' HD21 ' A' ' 24' ' ' LEU . 79.3 mt -60.5 -48.22 89.39 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.457 177.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 58.3 mt -63.05 -31.7 72.9 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.917 0.389 . . . . 0.45 111.641 -178.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -64.38 -51.82 61.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.661 -0.7 . . . . 1.23 110.386 171.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.582 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.9 m-85 -57.64 -42.55 83.67 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.704 0.764 . . . . 0.68 110.078 177.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.404 ' CE2' ' HE2' ' A' ' 53' ' ' LYS . 86.2 t80 -59.67 -46.91 87.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 113.908 -1.496 . . . . 0.58 112.105 -177.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -75.81 -17.21 59.93 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.752 -0.379 . . . . 1.2 111.117 -174.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -95.59 6.72 48.23 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 122.279 -0.263 . . . . 2.22 111.214 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 36.8 mt -64.91 -165.94 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.329 0.863 . . . . 1.11 113.329 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.693 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 50.3 mm-40 -126.27 -171.89 2.5 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.718 -1.128 . . . . 2.83 109.551 -171.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -54.55 -81.83 0.06 OUTLIER Glycine 0 CA--C 1.521 0.456 0 C-N-CA 121.482 -0.389 . . . . 0.74 113.706 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -67.66 -28.44 67.71 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.191 -0.3 . . . . 2.37 110.191 178.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.61 -44.86 95.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.865 0.364 . . . . 0.43 110.151 -179.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.3 tmtp? -61.32 -55.57 30.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 115.663 -0.699 . . . . 1.62 109.205 178.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -47.14 61.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.127 -0.942 . . . . 2.49 110.993 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -68.43 -48.58 64.25 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 116.386 -0.37 . . . . 2.27 110.562 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.86 -52.56 64.93 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.211 -0.596 . . . . 0.37 109.849 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.534 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.1 m -49.97 -44.96 51.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.31 0.576 . . . . 0.51 112.413 179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -71.23 -27.39 63.44 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.145 -0.934 . . . . 1.71 112.059 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -76.89 -46.05 25.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.354 -0.61 . . . . 0.77 109.354 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.52 -30.28 66.95 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.441 -0.8 . . . . 0.62 111.496 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.8 mttt -61.5 -53.16 60.07 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 110.252 -0.277 . . . . 0.67 110.252 176.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -57.34 -39.22 90.02 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.923 -0.656 . . . . 0.59 111.779 175.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.66 -44.24 98.09 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.878 -0.677 . . . . 0.5 111.937 175.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.505 ' HA ' ' CE2' ' A' ' 116' ' ' PHE . 39.4 t -61.49 -41.13 96.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.978 0.418 . . . . 1.13 110.01 175.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -60.05 -40.87 90.92 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.583 -0.735 . . . . 3.8 110.31 178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -64.18 -41.06 97.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.856 0.36 . . . . 2.02 111.455 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.6 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -70.59 -40.24 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.42 -0.354 . . . . 0.81 110.569 177.113 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.547 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.0 tp -65.84 -25.84 67.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.887 0.851 . . . . 1.71 109.69 177.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -70.59 -12.39 61.53 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.73 -1.577 . . . . 2.22 110.928 173.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.404 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 43.1 t60 -101.33 -57.45 2.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.652 0.739 . . . . 1.76 109.434 176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.675 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 4.1 p -68.2 -48.35 74.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 114.266 -1.334 . . . . 1.46 112.409 -170.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.617 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.6 OUTLIER -95.58 -28.53 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 C-N-CA 119.463 -0.895 . . . . 0.8 110.297 177.068 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.36 165.82 25.57 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.878 -0.677 . . . . 0.55 112.071 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -62.5 -35.45 79.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.658 0.266 . . . . 2.31 110.714 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.1 tt0 -45.53 -63.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 123.475 0.71 . . . . 2.0 112.485 175.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.617 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.6 tppp? -78.68 -36.78 43.16 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.068 -0.515 . . . . 1.43 111.344 -170.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.485 ' O ' ' HG3' ' A' ' 81' ' ' LYS . . . -62.49 -29.59 70.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.008 0.432 . . . . 0.7 109.999 177.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.67 87.63 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.04 176.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 26.4 mt-10 -78.99 -27.2 43.36 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.44 -0.8 . . . . 1.33 111.107 -177.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.477 HD13 HD21 ' A' ' 68' ' ' LEU . 43.9 mt -75.81 -29.55 58.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 0.98 111.282 176.587 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 77' ' ' ALA . 54.0 mtmt -68.16 -54.2 19.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.387 -0.37 . . . . 2.12 110.113 174.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -61.86 -38.61 88.91 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.03 -0.532 . . . . 1.54 110.126 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.503 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.4 OUTLIER -46.65 -61.69 1.71 Allowed 'General case' 0 N--CA 1.444 -0.77 0 O-C-N 123.602 0.564 . . . . 1.37 111.278 177.712 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HB2' HD11 ' A' ' 93' ' ' LEU . 46.2 tttp -74.34 -43.79 55.13 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.249 -0.887 . . . . 2.27 111.534 -170.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -65.29 -14.01 59.76 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 118.216 -0.897 . . . . 2.52 112.385 -178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.3 p -124.61 -63.46 1.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 114.822 -2.751 . . . . 1.52 116.627 172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -110.54 -25.35 5.25 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 118.736 -1.697 . . . . 0.92 114.741 -167.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.599 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -87.23 126.95 35.14 Favored 'General case' 0 C--N 1.315 -0.899 0 C-N-CA 119.915 -0.714 . . . . 0.83 112.031 -168.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.482 ' O ' HD23 ' A' ' 93' ' ' LEU . 45.9 t -69.83 164.08 24.46 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 114.708 -1.133 . . . . 1.6 109.188 170.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.17 -24.25 58.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 118.292 0.496 . . . . 2.96 110.981 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -67.62 -39.32 84.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.305 -0.407 . . . . 2.34 111.21 177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.599 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 7.6 mm-40 -71.88 -30.09 65.03 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 123.84 0.856 . . . . 1.45 108.692 -177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 97' ' ' VAL . 3.0 mm? -65.16 -47.78 75.82 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.213 -1.403 . . . . 1.08 107.213 167.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -61.94 -42.17 98.8 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 119.335 0.971 . . . . 2.06 110.203 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.65 -16.16 40.07 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-O 121.908 0.861 . . . . 0.93 112.45 -173.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.808 ' O ' ' HG3' ' A' ' 99' ' ' GLU . 48.4 tptt -76.97 -54.19 6.88 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 114.147 -1.388 . . . . 3.11 110.428 167.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 93' ' ' LEU . 73.2 t -51.67 -38.04 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-N 115.072 -0.967 . . . . 0.97 111.227 -179.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -63.72 -47.51 80.83 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.727 -0.389 . . . . 2.03 111.052 175.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.808 ' HG3' ' O ' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -66.6 -36.44 82.61 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.074 0.464 . . . . 2.48 110.32 -179.55 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -72.09 -52.67 15.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.597 -0.729 . . . . 0.63 111.453 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.75 -10.23 57.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.313 -0.403 . . . . 1.4 112.005 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -87.3 -48.4 8.03 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.111 -0.7 . . . . 2.48 109.111 171.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.28 1.82 0.99 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.308 0.855 . . . . 0.64 113.308 -172.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.483 ' CG1' HD11 ' A' ' 113' ' ' ILE . 2.0 p -96.14 147.16 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.17 0 CA-C-O 120.831 0.348 . . . . 1.68 110.353 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.511 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 20.4 p -146.67 11.82 1.12 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.119 0.785 . . . . 1.03 113.119 -174.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.475 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 30.9 t70 -84.54 129.65 34.83 Favored 'General case' 0 C--N 1.322 -0.616 0 O-C-N 121.87 -0.519 . . . . 2.07 111.05 172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.83 -54.03 27.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 114.968 -1.014 . . . . 3.18 113.065 -167.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.06 -43.89 87.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.499 -0.773 . . . . 2.78 110.949 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.675 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.6 mttt -58.83 -44.86 91.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.11 0.481 . . . . 1.81 110.475 177.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.511 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 50.5 mtpt -70.84 -15.54 62.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.836 0.826 . . . . 1.14 112.361 -178.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -39.21 87.86 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.335 -1.302 . . . . 1.69 109.966 170.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.404 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 28.4 m-85 -72.15 -30.6 65.17 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.758 -0.655 . . . . 0.92 109.738 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.483 HD11 ' CG1' ' A' ' 104' ' ' VAL . 52.4 mt -62.48 -51.54 70.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-O 121.148 0.499 . . . . 0.72 110.811 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.91 -42.86 76.28 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.758 -0.656 . . . . 0.63 111.367 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.505 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 85.9 m-20 -81.55 -54.94 5.01 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 121.452 0.644 . . . . 1.73 111.764 -174.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.505 ' CE2' ' HA ' ' A' ' 64' ' ' CYS . 83.0 t80 -98.65 -24.83 14.92 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.016 -0.993 . . . . 1.62 112.202 -169.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.435 ' O ' ' HB3' ' A' ' 120' ' ' CYS . . . -49.67 -63.24 4.27 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 115.001 0.76 . . . . 0.56 115.001 -174.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_endo -62.12 -30.97 83.04 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.111 1.874 . . . . 0.65 112.366 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.473 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -74.54 -34.82 63.07 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.167 0.508 . . . . 0.46 110.418 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.435 ' HB3' ' O ' ' A' ' 117' ' ' GLY . 32.9 t -59.06 -29.29 67.21 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.777 -0.647 . . . . 1.17 110.726 171.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -60.02 -50.3 74.26 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 111.731 0.271 . . . . 1.47 111.731 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.54 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -64.27 -30.65 71.7 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 109.281 -0.637 . . . . 1.5 109.281 175.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.5 HD13 ' HB3' ' A' ' 60' ' ' LEU . 66.6 mt -66.71 -49.92 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 122.61 1.195 . . . . 0.54 112.816 -176.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.514 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.4 m-85 -78.06 23.89 0.26 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.033 -1.894 . . . . 1.28 111.202 173.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.7 32.68 0.0 OUTLIER Glycine 0 N--CA 1.484 1.859 0 C-N-CA 127.723 2.582 . . . . 0.86 118.892 -147.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 124' ' ' TYR . 10.4 m -39.6 -31.27 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 C-N-CA 124.95 1.3 . . . . 1.53 113.389 173.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -55.71 -28.04 53.6 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 111.467 0.173 . . . . 2.77 111.467 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.0 m 51.09 70.53 0.52 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.985 0.421 . . . . 3.63 110.949 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 C--O 1.25 1.112 0 CA-C-O 118.003 -0.999 . . . . 5.56 110.586 -174.484 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.726 0 N-CA-C 111.795 -0.522 . . . . 12.2 111.795 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 60.2 m -124.62 94.81 43.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.089 0.471 . . . . 10.23 110.716 -179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -88.51 -170.4 0.51 Allowed 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.987 2.458 . . . . 9.01 112.065 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 55.5 70.88 0.59 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.772 -0.649 . . . . 8.29 111.078 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -65.82 154.53 38.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.954 -0.566 . . . . 5.37 111.054 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 52.1 m80 -112.71 154.7 25.73 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.336 -0.393 . . . . 5.61 109.959 -176.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 86.3 m-70 -103.92 -73.54 0.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.595 -0.275 . . . . 3.83 111.083 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -134.52 70.65 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 1.22 110.38 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -84.57 164.52 18.67 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.08 -0.509 . . . . 0.96 111.192 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 7.2 mp -72.1 -28.6 63.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.241 -0.436 . . . . 1.67 111.023 177.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 44.4 mt-10 -60.01 -47.48 85.65 Favored 'General case' 0 CA--C 1.52 -0.199 0 N-CA-C 107.647 -1.242 . . . . 1.8 107.647 167.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t -56.05 -17.47 7.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 119.422 1.01 . . . . 1.14 112.577 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.51 ' CB ' HD23 ' A' ' 13' ' ' LEU . 29.1 m -100.49 -18.9 16.45 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 115.189 1.552 . . . . 1.02 115.189 -179.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 57.0 mt -57.42 -28.24 63.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 116.663 2.097 . . . . 1.04 116.663 -161.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -102.11 -0.25 33.69 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.727 -1.124 . . . . 1.32 110.981 176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 p -124.98 -97.24 0.43 Allowed 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.212 0.53 . . . . 0.69 112.07 -177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 3.0 m170 -59.28 -42.59 91.6 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 115.593 -0.731 . . . . 1.5 110.969 -176.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.51 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.24 25.01 11.56 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.878 0.847 . . . . 1.13 112.48 -171.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 14.4 ptmm? -69.15 -21.77 63.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 114.486 -1.233 . . . . 1.69 112.113 -174.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.403 ' CZ2' HD11 ' A' ' 60' ' ' LEU . 61.3 p-90 -76.53 -7.95 56.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.35 111.197 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.51 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 86.1 mt -74.29 149.59 40.61 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.459 -0.941 . . . . 0.31 108.459 174.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.6 t -85.95 160.89 19.25 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.662 -1.154 . . . . 1.24 109.114 177.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -53.99 -48.81 70.02 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 118.045 0.384 . . . . 1.91 110.762 -177.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 7.2 mm-40 -57.76 -34.95 70.1 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.286 0.366 . . . . 2.49 111.225 179.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -74.4 -43.35 56.77 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 110.18 -0.304 . . . . 1.57 110.18 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 16' ' ' LEU . 98.7 mttt -61.0 -48.2 82.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.054 0.454 . . . . 0.95 110.233 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -65.73 -30.87 71.61 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.459 -0.791 . . . . 0.67 110.871 178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' O ' ' HG3' ' A' ' 27' ' ' MET . 3.1 tt0 -60.54 -56.21 24.07 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.744 0.247 . . . . 1.43 110.991 169.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.64 -37.38 86.39 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 111.903 0.335 . . . . 1.33 111.903 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 66.6 mt -62.09 -41.25 98.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.826 0.345 . . . . 1.06 110.245 175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 ttpp -66.7 -40.42 88.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.959 -0.564 . . . . 3.24 109.494 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.52 ' SD ' ' HG3' ' A' ' 40' ' ' LYS . 88.3 mtp -58.05 -54.89 41.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.714 -0.676 . . . . 0.92 111.765 175.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -59.44 -39.14 82.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.966 0.413 . . . . 2.44 110.641 178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt -61.05 -49.85 75.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.637 -0.71 . . . . 2.69 111.476 178.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -81.2 4.0 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.28 0.562 . . . . 2.14 112.459 -173.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.06 25.1 23.07 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.418 -0.81 . . . . 0.63 113.187 170.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -68.31 141.62 55.78 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.741 -0.837 . . . . 1.65 108.741 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.13 151.08 40.17 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.912 -0.585 . . . . 0.59 110.617 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.1 mtmt -53.08 -36.32 60.54 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.916 0.325 . . . . 2.97 111.313 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -62.03 -18.66 61.31 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 111.783 0.29 . . . . 2.82 111.783 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -90.23 -24.31 21.0 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-O 122.51 1.148 . . . . 0.85 110.614 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.429 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.3 mm? -77.4 -40.37 43.83 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 113.058 -1.883 . . . . 1.22 110.276 170.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -52.81 -27.58 18.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 114.664 -1.153 . . . . 2.72 110.642 173.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.03 -36.51 14.89 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.999 1.111 . . . . 0.49 113.999 -173.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.52 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 72.3 mmtt -62.95 -54.5 37.53 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 110.357 -0.238 . . . . 1.34 110.357 172.198 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.3 mt -60.19 -46.54 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-N 116.493 -0.321 . . . . 0.39 111.204 -176.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 42' ' ' LEU . 14.2 mt -65.19 -32.85 74.74 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.233 -0.44 . . . . 0.45 111.58 178.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.487 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 17.7 t60 -65.83 -50.56 64.16 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.265 -0.425 . . . . 1.23 110.202 172.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.405 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.9 m-85 -57.84 -44.93 86.81 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.529 0.68 . . . . 0.68 110.055 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -57.72 -43.58 85.35 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.324 -1.307 . . . . 0.58 111.779 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -76.9 -17.58 58.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.541 -0.3 . . . . 1.2 111.243 -175.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 38.3 mm-40 -85.0 -6.33 59.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 2.22 110.232 176.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD11 ' CE3' ' A' ' 15' ' ' TRP . 66.0 mt -80.98 152.15 28.12 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-O 122.155 0.978 . . . . 1.11 111.413 -178.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -144.04 171.39 14.33 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 113.568 -1.651 . . . . 2.83 111.331 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.33 -144.41 40.01 Favored Glycine 0 N--CA 1.451 -0.334 0 O-C-N 123.869 0.731 . . . . 0.74 113.779 173.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.94 -30.1 70.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.429 -0.386 . . . . 2.37 110.441 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.62 -48.14 82.82 Favored 'General case' 0 CA--C 1.515 -0.404 0 N-CA-C 109.371 -0.603 . . . . 0.43 109.371 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -56.67 -56.65 18.78 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 114.863 -1.062 . . . . 1.62 109.749 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 58' ' ' GLU . 63.7 mttm -50.27 -48.7 54.71 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.084 0.865 . . . . 2.49 111.219 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -64.04 -50.34 68.81 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 116.029 -0.532 . . . . 2.27 110.994 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.45 65.44 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.204 -0.598 . . . . 0.37 109.763 -177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.445 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 95.0 m -46.9 -46.2 21.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.542 0.687 . . . . 0.51 112.629 177.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 54' ' ' LYS . 31.6 mt-10 -67.99 -26.59 65.99 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.859 -1.064 . . . . 1.71 111.583 179.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 74.8 m-70 -79.52 -42.37 25.32 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.735 -0.469 . . . . 0.77 109.735 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -59.2 -38.33 79.62 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 116.474 -0.33 . . . . 0.62 110.715 169.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.3 mttt -55.53 -62.62 1.56 Allowed 'General case' 0 C--O 1.22 -0.483 0 N-CA-C 110.095 -0.335 . . . . 0.67 110.095 174.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.43 -41.58 48.8 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.175 -0.536 . . . . 0.59 112.179 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -55.33 29.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 121.564 -0.35 . . . . 0.5 112.907 175.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 44.8 t -70.03 -28.35 65.4 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.784 0.326 . . . . 1.13 110.682 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -72.05 -27.21 62.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.886 0.374 . . . . 3.8 110.351 177.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -74.89 -33.27 62.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.999 -0.741 . . . . 2.02 108.999 174.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.616 ' O ' HG12 ' A' ' 71' ' ' VAL . 75.9 mt -71.34 -43.38 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.608 -0.724 . . . . 0.81 110.173 173.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.567 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 22.4 tp -62.54 -32.25 73.18 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.657 0.741 . . . . 1.71 109.605 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 74.2 tttt -63.5 -17.25 62.56 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.251 -1.341 . . . . 2.22 110.649 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -100.24 -59.66 1.67 Allowed 'General case' 0 N--CA 1.445 -0.689 0 CA-C-O 121.662 0.744 . . . . 1.76 109.821 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.643 ' HA ' ' HG3' ' A' ' 109' ' ' LYS . 4.7 p -63.32 -46.41 95.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 CA-C-N 114.618 -1.174 . . . . 1.46 112.3 -171.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.738 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.34 -9.87 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.922 0 CA-C-O 121.652 0.739 . . . . 0.8 109.686 179.819 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 81.19 165.9 35.18 Favored Glycine 0 N--CA 1.44 -1.077 0 CA-C-N 115.053 -0.976 . . . . 0.55 112.245 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -68.02 -21.29 65.04 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.227 0.537 . . . . 2.31 109.694 177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -55.09 -65.46 0.58 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.011 -0.995 . . . . 2.0 111.886 173.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.738 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.1 mmmt -78.48 -34.17 47.72 Favored 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 116.113 -0.494 . . . . 1.43 111.214 -171.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.4 -24.35 67.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.141 0.496 . . . . 0.7 110.35 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.16 -32.03 69.8 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.685 -0.689 . . . . 0.73 110.025 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -80.43 -33.72 36.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.783 -0.644 . . . . 1.33 111.343 -178.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.553 HD23 ' O ' ' A' ' 76' ' ' LYS . 4.0 mm? -60.92 -45.64 93.83 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 121.259 0.552 . . . . 0.98 110.601 167.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -60.98 -54.83 40.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.477 -0.783 . . . . 2.12 111.426 -179.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -74.07 -9.52 58.71 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.609 -0.269 . . . . 1.54 110.626 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 83' ' ' LEU . 5.0 mt -73.34 -58.9 2.99 Favored 'General case' 0 N--CA 1.436 -1.126 0 C-N-CA 120.022 -0.671 . . . . 1.37 109.363 171.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -54.05 -46.94 72.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 2.27 110.89 -178.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -61.77 -38.83 89.49 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.72 -0.673 . . . . 2.52 111.599 -179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.8 t -83.04 -4.81 58.74 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.775 -0.37 . . . . 1.52 111.444 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.73 43.3 1.05 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.446 -0.883 . . . . 0.92 112.33 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.442 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -85.34 126.71 33.96 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.069 -0.715 . . . . 0.83 109.069 170.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 35.0 p -74.95 179.09 5.13 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 114.426 -1.261 . . . . 1.6 109.779 175.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -60.71 -28.87 68.98 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.551 -0.46 . . . . 2.96 110.539 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -78.96 -43.99 23.4 Favored 'General case' 0 C--O 1.216 -0.672 0 C-N-CA 120.798 -0.361 . . . . 2.34 111.632 -175.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 25.5 mm-40 -53.85 -41.38 67.39 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 123.503 0.721 . . . . 1.45 110.637 174.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 97' ' ' VAL . 56.1 mt -70.75 -38.3 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.612 -0.884 . . . . 1.08 108.612 172.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.01 -41.4 95.37 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 119.308 0.958 . . . . 2.06 109.929 -177.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.571 ' O ' ' HG3' ' A' ' 99' ' ' GLU . . . -88.8 -15.49 34.49 Favored 'General case' 0 N--CA 1.439 -0.977 0 CA-C-N 114.76 -1.109 . . . . 0.93 111.722 -175.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.8 tptt -69.35 -63.45 1.07 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 114.354 -1.294 . . . . 3.11 110.39 166.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 93' ' ' LEU . 97.7 t -46.56 -44.6 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 114.464 -1.243 . . . . 0.97 112.488 -177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -58.16 -48.95 78.67 Favored 'General case' 0 C--O 1.222 -0.373 0 C-N-CA 120.81 -0.356 . . . . 2.03 110.916 178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 95' ' ' ALA . 43.6 mt-10 -57.39 -41.41 80.2 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.243 -0.281 . . . . 2.48 110.243 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.581 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -66.38 -57.0 8.38 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.3 -0.409 . . . . 0.63 111.181 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.451 ' HG ' HG12 ' A' ' 113' ' ' ILE . 10.2 mp -65.15 -7.97 14.88 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 113.373 0.879 . . . . 1.4 113.373 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -90.87 -54.87 3.78 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.147 -1.427 . . . . 2.48 107.147 169.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.23 2.18 0.88 Allowed 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.204 0.816 . . . . 0.64 113.204 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -81.69 145.03 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 CA-C-O 121.016 0.436 . . . . 1.68 110.12 176.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 7.7 p -145.78 3.89 0.98 Allowed 'General case' 0 C--N 1.314 -0.95 0 C-N-CA 119.51 -0.876 . . . . 1.03 113.141 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.434 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 8.7 t70 -86.05 126.64 34.31 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.979 -0.688 . . . . 2.07 110.299 174.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.551 ' CD ' ' H ' ' A' ' 107' ' ' GLU . 21.8 mp0 -53.89 -54.5 37.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.807 -1.088 . . . . 3.18 113.423 -164.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -52.56 -39.95 62.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.258 -0.883 . . . . 2.78 111.11 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.643 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mptt -66.59 -43.28 85.35 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.387 -0.824 . . . . 1.81 110.644 -177.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -74.32 -13.59 60.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.705 0.764 . . . . 1.14 111.329 -176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -67.28 -36.72 82.13 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.88 -1.054 . . . . 1.69 110.195 171.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -74.33 -33.47 63.17 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.355 0.598 . . . . 0.92 109.629 177.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.743 ' CD1' HG11 ' A' ' 104' ' ' VAL . 78.9 mt -65.03 -38.32 82.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.987 -0.552 . . . . 0.72 111.329 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.12 -41.16 62.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.967 -0.382 . . . . 0.63 109.967 173.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -71.77 -59.1 2.92 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.205 -0.452 . . . . 1.73 111.815 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -99.23 -22.2 15.74 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.035 -0.53 . . . . 1.62 112.379 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 113' ' ' ILE . . . -43.18 -67.41 0.97 Allowed Glycine 0 CA--C 1.535 1.308 0 N-CA-C 115.097 0.799 . . . . 0.56 115.097 -173.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.82 -48.72 20.22 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.76 2.307 . . . . 0.65 113.404 -177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.601 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -69.74 -30.9 68.61 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.938 0.399 . . . . 0.46 111.521 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 43.2 t -59.93 -31.82 70.2 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.153 -0.476 . . . . 1.17 110.774 173.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -59.1 -47.95 83.38 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.639 -0.255 . . . . 1.47 111.14 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.601 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 17.9 ptpt -67.19 -31.83 72.49 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.402 -0.592 . . . . 1.5 109.402 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' ALA . 80.7 mt -68.54 -45.81 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 122.841 1.305 . . . . 0.54 112.339 -176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.531 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.1 m-85 -75.61 22.66 0.13 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 112.707 -2.042 . . . . 1.28 110.76 171.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.35 30.06 0.0 OUTLIER Glycine 0 N--CA 1.483 1.833 0 C-N-CA 127.871 2.653 . . . . 0.86 119.445 -145.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 124' ' ' TYR . 29.2 m -56.67 -17.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 C-N-CA 123.476 0.71 . . . . 1.53 110.967 168.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 47.3 t-80 -54.08 -38.73 65.62 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.8 -0.636 . . . . 2.77 110.324 177.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 29.3 m -83.03 88.91 6.85 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 109.129 -0.693 . . . . 3.63 109.129 172.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 10.3 m . . . . . 0 C--O 1.247 0.949 0 CA-C-N 115.759 -0.655 . . . . 5.56 110.618 -174.78 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 111.874 -0.491 . . . . 12.2 111.874 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 33.0 t -143.81 103.52 4.9 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 120.689 0.281 . . . . 10.23 110.407 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -82.07 48.57 2.86 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.919 2.413 . . . . 9.01 112.369 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 68.82 -65.82 0.27 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.512 0.725 . . . . 8.29 111.584 -177.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 90.1 t80 -70.46 115.55 9.77 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.216 -0.447 . . . . 5.37 110.572 -178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -79.15 140.89 37.66 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.122 -0.49 . . . . 5.61 110.068 177.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -84.76 157.19 21.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.829 -0.623 . . . . 3.83 110.387 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 61.52 44.55 9.12 Favored 'General case' 0 C--N 1.331 -0.23 0 O-C-N 123.816 0.698 . . . . 1.22 110.385 -178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.5 p -92.4 173.94 7.54 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 115.839 -0.619 . . . . 0.96 111.349 179.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.695 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 76.7 mt -76.68 -30.75 56.89 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 1.67 111.943 -175.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 42.5 mt-10 -64.6 -45.38 87.19 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 107.474 -1.306 . . . . 1.8 107.474 168.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.8 m -55.67 -19.41 10.58 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 120.542 1.519 . . . . 1.14 112.214 175.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.577 ' CB ' HD23 ' A' ' 13' ' ' LEU . 15.8 m -98.96 -19.6 17.22 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -176.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 75.3 mt -54.17 -32.72 56.2 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.075 2.25 . . . . 1.04 117.075 -163.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -101.69 0.51 36.18 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.073 -0.967 . . . . 1.32 111.035 176.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 16.9 p -123.06 -99.92 0.42 Allowed 'General case' 0 N--CA 1.444 -0.756 0 CA-C-O 121.228 0.537 . . . . 0.69 112.124 -179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -60.28 -42.14 94.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.56 -0.746 . . . . 1.5 112.187 -176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.577 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.99 24.1 12.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.736 0.779 . . . . 1.13 112.077 -170.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -74.87 -12.55 60.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.027 -0.988 . . . . 1.69 111.874 -175.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 66.8 p-90 -77.13 -8.08 56.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.623 177.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 HD11 HD12 ' A' ' 13' ' ' LEU . 38.0 mt -75.07 150.46 38.86 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.697 -0.853 . . . . 0.31 108.697 173.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.2 m -78.58 159.76 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.549 -1.205 . . . . 1.24 109.589 175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.5 tp60 -56.12 -47.24 78.49 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.714 -0.476 . . . . 1.91 109.714 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -58.38 -33.12 69.26 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 116.33 -0.396 . . . . 2.49 110.511 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.547 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 27.8 mt-30 -74.51 -41.89 59.88 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.645 -0.502 . . . . 1.57 109.645 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' O ' HD13 ' A' ' 25' ' ' LEU . 97.8 mttt -58.98 -54.67 44.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.754 0.311 . . . . 0.95 110.303 176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -62.82 -27.56 69.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.053 -0.521 . . . . 0.67 110.456 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' OE1' ' OH ' ' A' ' 44' ' ' TYR . 2.0 tt0 -72.32 -43.14 64.58 Favored 'General case' 0 N--CA 1.438 -1.03 0 O-C-N 122.157 -0.339 . . . . 1.43 110.75 174.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 20' ' ' GLN . 79.9 mt -66.65 -46.1 76.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 118.526 0.603 . . . . 1.33 110.174 178.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.628 HD13 ' O ' ' A' ' 21' ' ' LYS . 10.8 mp -51.64 -42.42 62.05 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 122.666 0.387 . . . . 1.06 111.518 169.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.31 -45.25 88.77 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.667 -0.494 . . . . 3.24 109.667 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.515 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 39.7 mmm -55.4 -54.22 46.42 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 0.92 111.468 175.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 11.5 mmmt -58.4 -42.05 86.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 2.44 111.789 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -73.62 -29.15 62.19 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.091 0.404 . . . . 2.69 112.091 -178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -85.08 -1.99 57.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.903 0.859 . . . . 2.14 110.932 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.82 21.72 35.62 Favored Glycine 0 CA--C 1.503 -0.682 0 CA-C-N 114.669 -1.15 . . . . 0.63 112.63 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 44.8 mmtm -67.5 142.64 56.51 Favored 'General case' 0 N--CA 1.44 -0.93 0 N-CA-C 108.179 -1.045 . . . . 1.65 108.179 172.25 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.55 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.28 148.56 48.38 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 116.105 -0.498 . . . . 0.59 109.882 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -51.26 -35.63 38.14 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.701 0.286 . . . . 2.97 110.518 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.53 ' HD2' ' O ' ' A' ' 35' ' ' LYS . 0.6 OUTLIER -58.69 -25.7 63.12 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.293 -0.412 . . . . 2.82 111.088 178.356 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -85.47 -25.18 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 122.735 1.255 . . . . 0.85 110.468 -177.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -73.13 -44.53 60.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.289 170.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.498 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 3.3 tp10 -65.82 -16.28 63.67 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 114.934 -1.03 . . . . 2.72 110.066 177.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.47 -40.64 12.55 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 115.279 -0.873 . . . . 0.49 112.181 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -58.33 -54.87 42.17 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.584 -0.735 . . . . 1.34 109.738 170.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -58.16 -50.25 78.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 115.746 -0.661 . . . . 0.39 111.522 -176.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 20.2 mt -61.04 -35.05 75.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.049 0.452 . . . . 0.45 111.825 179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -64.27 -45.03 89.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.256 174.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.439 ' OH ' ' OE1' ' A' ' 23' ' ' GLU . 21.8 m-85 -67.62 -41.65 83.61 Favored 'General case' 0 N--CA 1.461 0.093 0 CA-C-O 121.518 0.675 . . . . 0.68 110.327 179.231 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -59.6 -44.33 93.43 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.668 -1.151 . . . . 0.58 111.315 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -81.16 -12.21 59.26 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.054 -0.521 . . . . 1.2 111.068 -172.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -97.61 11.36 37.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.611 0.243 . . . . 2.22 110.798 174.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 44.7 mt -71.04 -163.53 0.08 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-O 121.237 0.541 . . . . 1.11 111.861 -178.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 5.8 pt-20 -168.39 116.68 0.71 Allowed 'General case' 0 C--N 1.315 -0.907 0 CA-C-N 115.687 -0.688 . . . . 2.83 112.242 -165.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 51.17 -114.14 2.68 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.658 -0.701 . . . . 0.74 114.386 171.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -67.97 -34.81 77.27 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.46 0.304 . . . . 2.37 110.717 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.63 94.11 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.894 0.854 . . . . 0.43 108.971 176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.462 ' HG2' ' HB2' ' A' ' 48' ' ' LEU . 9.6 tmtt? -66.23 -53.25 39.29 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 114.228 -1.351 . . . . 1.62 109.119 -178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.75 -47.44 64.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.463 -0.79 . . . . 2.49 111.44 177.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -64.56 -50.35 67.62 Favored 'General case' 0 CA--C 1.511 -0.531 0 CA-C-O 119.484 -0.293 . . . . 2.27 110.557 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.63 -50.39 74.05 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 119.734 -0.786 . . . . 0.37 109.608 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 63.5 m -49.65 -47.24 50.12 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.329 0.585 . . . . 0.51 112.508 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -65.92 -31.75 72.85 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 114.969 -1.014 . . . . 1.71 112.009 177.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.6 m-70 -77.74 -44.94 26.17 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.798 -0.445 . . . . 0.77 109.798 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.484 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.84 -31.03 70.47 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 116.064 -0.516 . . . . 0.62 111.51 171.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 57' ' ' THR . 87.3 mttt -59.44 -55.48 34.16 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 109.631 -0.507 . . . . 0.67 109.631 174.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -60.38 -37.91 93.89 Favored Glycine 0 N--CA 1.448 -0.551 0 CA-C-N 115.93 -0.577 . . . . 0.59 112.346 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.6 -55.66 28.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.075 -0.583 . . . . 0.5 112.331 175.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 49.4 t -69.31 -24.26 63.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.072 0.463 . . . . 1.13 110.327 179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -62.53 -38.16 88.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.072 -0.513 . . . . 3.8 109.681 175.579 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 69' ' ' LYS . 38.3 mt-10 -76.18 -27.63 56.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.412 -0.358 . . . . 2.02 110.086 176.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.652 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.3 mt -67.42 -40.91 85.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 110.025 -0.361 . . . . 0.81 110.025 174.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.415 ' O ' HG12 ' A' ' 72' ' ' VAL . 23.3 tp -64.3 -23.72 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.629 . . . . 1.71 110.089 176.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -71.24 -12.8 61.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.53 -1.214 . . . . 2.22 110.237 173.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.477 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 50.7 t60 -100.25 -54.01 2.98 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.112 -0.699 . . . . 1.76 109.112 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.4 t -61.97 -61.11 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 114.901 -1.045 . . . . 1.46 111.116 -176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.61 -17.25 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.297 -173.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 92.55 -150.89 20.31 Favored Glycine 0 N--CA 1.435 -1.385 0 CA-C-N 115.701 -0.681 . . . . 0.55 111.51 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -90.01 -46.64 8.37 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 115.527 -0.336 . . . . 2.31 110.253 -179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -39.98 -66.21 0.33 Allowed 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 113.741 1.015 . . . . 2.0 113.741 -177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.8 mmmt -76.07 -39.67 54.91 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 116.334 -0.394 . . . . 1.43 111.297 -169.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' LYS . . . -61.16 -32.03 71.76 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.14 0.495 . . . . 0.7 109.744 178.246 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.36 73.82 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.637 -0.711 . . . . 0.73 111.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 8.4 pt-20 -75.11 -21.17 59.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.689 0.28 . . . . 1.33 110.9 -177.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.479 ' HA ' ' HB2' ' A' ' 83' ' ' LEU . 70.7 mt -77.37 -28.96 53.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.161 -0.472 . . . . 0.98 111.246 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 77' ' ' ALA . 31.8 mmmt -66.26 -46.94 75.35 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.733 -0.469 . . . . 2.12 109.733 174.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.79 -31.0 66.14 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.866 -0.606 . . . . 1.54 110.133 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.53 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.5 OUTLIER -56.99 -44.93 83.24 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.521 -0.548 . . . . 1.37 109.521 179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.643 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 22.4 ttpp -69.07 -51.62 36.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.493 -0.776 . . . . 2.27 109.774 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -58.25 -31.74 67.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.124 -0.943 . . . . 2.52 112.351 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 27.7 p -81.86 -7.8 59.63 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.259 -0.576 . . . . 1.52 110.805 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 119.29 41.44 0.58 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.812 -0.708 . . . . 0.92 113.292 174.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.643 ' HB3' ' HA ' ' A' ' 84' ' ' LYS . . . -83.74 125.5 31.96 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 117.933 0.866 . . . . 0.83 109.284 175.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 16.7 t -85.96 -179.09 6.72 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.452 -1.249 . . . . 1.6 109.318 176.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -48.59 -47.29 39.87 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 123.932 0.77 . . . . 2.96 112.024 -176.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 48.7 mt-10 -74.91 -40.69 60.74 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.436 0.902 . . . . 2.34 113.436 -171.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 7.9 mm-40 -53.4 -43.85 68.24 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.531 0.732 . . . . 1.45 111.177 174.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.883 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 31.3 mt -75.84 -34.5 60.08 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.122 -1.066 . . . . 1.08 108.122 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.53 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 57.2 tttp -67.3 -41.79 84.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 119.898 1.227 . . . . 2.06 110.834 -172.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.87 -51.29 5.57 Favored 'General case' 0 N--CA 1.435 -1.176 0 CA-C-N 115.362 -0.835 . . . . 0.93 111.834 -175.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.616 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 71.7 mmtt -63.57 -21.0 66.1 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 113.191 0.811 . . . . 3.11 113.191 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.883 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -66.69 -38.27 81.22 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.228 0 CA-C-N 116.043 -0.526 . . . . 0.97 110.19 173.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 68.5 mt-10 -79.08 -15.35 58.31 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.209 -0.45 . . . . 2.03 111.27 -172.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -72.26 -46.89 54.01 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.231 -0.655 . . . . 2.48 109.231 170.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -63.01 -46.44 87.61 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.271 -0.877 . . . . 0.63 110.096 177.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.594 HD23 ' O ' ' A' ' 97' ' ' VAL . 3.0 mm? -70.49 -5.79 31.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.688 -0.687 . . . . 1.4 111.656 176.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 40.6 t-80 -90.49 -50.06 6.16 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 107.929 -1.138 . . . . 2.48 107.929 173.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.45 1.72 1.08 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 114.604 -1.18 . . . . 0.64 113.899 -171.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.557 HG13 ' H ' ' A' ' 105' ' ' THR . 0.6 OUTLIER -81.19 -71.63 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.027 0 O-C-N 121.969 -0.457 . . . . 1.68 111.477 179.396 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.557 ' H ' HG13 ' A' ' 104' ' ' VAL . 25.5 p 67.63 12.17 8.74 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.261 0.837 . . . . 1.03 113.261 171.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 1.1 m-20 -88.73 135.8 33.33 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.693 -0.484 . . . . 2.07 109.693 170.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -58.61 -54.28 48.84 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 114.594 1.331 . . . . 3.18 114.594 -162.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -66.55 -33.7 76.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.843 0.354 . . . . 2.78 111.139 -178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.517 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 57.6 mttp -65.52 -40.5 93.05 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 120.895 0.378 . . . . 1.81 110.562 174.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.552 ' HG2' HD12 ' A' ' 113' ' ' ILE . 49.4 mtmt -73.6 -12.2 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.265 0.555 . . . . 1.14 111.94 176.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.89 -41.95 95.2 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 108.326 -0.99 . . . . 1.69 108.326 169.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -72.79 -32.68 65.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.603 -0.726 . . . . 0.92 110.216 178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.552 HD12 ' HG2' ' A' ' 110' ' ' LYS . 46.2 mt -60.03 -47.92 89.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.003 0.43 . . . . 0.72 110.437 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.13 -40.37 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.723 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.39 -59.94 2.5 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.188 -0.46 . . . . 1.73 111.962 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.47 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -97.35 -25.39 15.25 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.871 -0.604 . . . . 1.62 111.774 -172.234 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -45.48 -61.47 3.67 Favored Glycine 0 CA--C 1.532 1.132 0 N-CA-C 114.633 0.613 . . . . 0.56 114.633 -173.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 26.9 Cg_endo -60.17 -34.87 93.87 Favored 'Trans proline' 0 C--N 1.348 0.527 0 C-N-CA 122.457 2.105 . . . . 0.65 112.652 -176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -79.01 -34.24 44.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.319 -0.401 . . . . 0.46 111.24 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.47 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 92.4 m -54.02 -32.48 54.41 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.053 -0.521 . . . . 1.17 110.767 169.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 1.5 mptm? -55.42 -55.65 29.22 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.162 0.43 . . . . 1.47 112.162 177.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -65.88 -28.24 68.81 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 120.18 -0.608 . . . . 1.5 109.915 177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.484 HD13 ' HB3' ' A' ' 60' ' ' LEU . 78.1 mt -67.25 -48.03 79.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 122.876 1.322 . . . . 0.54 112.195 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.512 ' O ' ' N ' ' A' ' 126' ' ' VAL . 61.5 m-85 -80.49 24.36 0.46 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 112.918 -1.946 . . . . 1.28 110.588 172.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.85 31.71 0.0 OUTLIER Glycine 0 N--CA 1.482 1.737 0 C-N-CA 128.339 2.876 . . . . 0.86 119.605 -149.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.512 ' N ' ' O ' ' A' ' 124' ' ' TYR . 21.2 m -45.76 -35.43 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-O 121.218 0.533 . . . . 1.53 110.314 165.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -85.42 88.85 7.56 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.322 -0.622 . . . . 2.77 109.322 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 p -61.4 144.3 54.31 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 3.63 111.11 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 22.8 m . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.6 -0.714 . . . . 5.56 109.922 -179.587 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 111.936 -0.466 . . . . 12.2 111.936 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 49.4 m -86.61 116.73 67.02 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-O 120.613 0.244 . . . . 10.23 110.564 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -73.04 114.98 4.19 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 122.271 1.981 . . . . 9.01 112.074 177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -63.68 -38.35 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.205 -0.665 . . . . 8.29 109.205 176.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.44 66.34 8.25 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.408 -0.815 . . . . 5.37 109.302 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -76.38 83.32 3.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.473 -0.785 . . . . 5.61 109.439 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.5 m-70 67.41 -78.15 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.707 -0.679 . . . . 3.83 109.592 -171.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -147.43 135.57 21.45 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 107.587 -1.264 . . . . 1.22 107.587 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 26.6 p -137.42 155.71 49.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.052 0.453 . . . . 0.96 110.383 -175.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.715 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 81.5 mt -72.88 -25.95 61.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.821 -0.627 . . . . 1.67 112.01 -177.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.584 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 43.3 mt-10 -62.61 -45.63 92.0 Favored 'General case' 0 CA--C 1.518 -0.271 0 N-CA-C 107.973 -1.121 . . . . 1.8 107.973 168.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.7 t -53.53 -20.84 5.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 119.532 1.06 . . . . 1.14 111.901 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.561 ' CB ' HD23 ' A' ' 13' ' ' LEU . 46.6 m -98.59 -22.92 15.71 Favored 'General case' 0 N--CA 1.449 -0.483 0 N-CA-C 114.852 1.427 . . . . 1.02 114.852 -178.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.715 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 73.0 mt -55.27 -30.94 61.09 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 116.891 2.182 . . . . 1.04 116.891 -162.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -101.77 1.31 37.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.187 -1.37 . . . . 1.32 110.46 177.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.8 p -126.05 -96.71 0.43 Allowed 'General case' 0 N--CA 1.443 -0.817 0 CA-C-O 121.285 0.564 . . . . 0.69 111.997 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -60.6 -40.48 91.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.722 -0.672 . . . . 1.5 111.523 -176.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -105.96 23.94 13.16 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.868 0.842 . . . . 1.13 112.128 -171.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.476 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.9 ptmt -65.64 -22.92 66.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.135 -1.393 . . . . 1.69 111.911 -176.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.9 p-90 -76.48 -5.84 49.18 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.532 -0.758 . . . . 0.35 111.198 -176.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD11 HD12 ' A' ' 13' ' ' LEU . 78.7 mt -76.09 144.65 40.59 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.716 -0.846 . . . . 0.31 108.716 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.4 p -83.68 160.04 21.41 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 114.3 -1.318 . . . . 1.24 108.993 175.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 21' ' ' LYS . 80.6 mm-40 -53.38 -47.95 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.934 -0.307 . . . . 1.91 111.138 -176.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -58.67 -36.6 74.42 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 116.492 -0.322 . . . . 2.49 111.788 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 24' ' ' LEU . 25.3 mt-30 -75.18 -44.51 46.21 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 122.108 -0.37 . . . . 1.57 110.676 178.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 3.0 ptmm? -69.09 -36.04 77.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.009 -0.677 . . . . 0.95 110.255 -177.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -68.63 -26.27 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.811 -0.631 . . . . 0.67 110.458 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.51 ' O ' ' HG3' ' A' ' 27' ' ' MET . 5.7 tt0 -62.01 -55.17 31.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 O-C-N 122.108 -0.37 . . . . 1.43 110.792 168.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD11 ' HE2' ' A' ' 44' ' ' TYR . 6.6 mp -63.8 -37.11 86.14 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 122.633 0.373 . . . . 1.33 111.938 -177.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.39 -43.05 99.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.793 0.33 . . . . 1.06 110.771 177.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -67.33 -39.13 85.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.723 -0.671 . . . . 3.24 109.631 178.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 84.9 mtp -58.33 -55.13 38.92 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.383 -0.371 . . . . 0.92 111.52 175.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -59.19 -39.92 84.12 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 121.187 0.518 . . . . 2.44 111.036 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -65.21 -46.03 82.32 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.379 -0.828 . . . . 2.69 111.814 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -78.45 -6.2 54.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.502 0.667 . . . . 2.14 111.748 -173.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 98.82 22.64 13.18 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.363 -0.922 . . . . 0.63 113.396 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -68.61 146.44 53.04 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.123 -1.065 . . . . 1.65 108.123 172.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.4 154.42 40.91 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-N 116.283 -0.417 . . . . 0.59 111.45 -174.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HA ' HD12 ' A' ' 37' ' ' LEU . 98.9 mttt -58.15 -38.27 76.26 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.448 -0.204 . . . . 2.97 110.448 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -62.73 -13.91 38.21 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 111.869 0.322 . . . . 2.82 111.869 178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.425 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 30.2 mt-10 -91.11 -25.04 19.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 122.961 1.362 . . . . 0.85 111.01 177.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.3 mt -79.15 -41.13 29.23 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 112.522 -2.127 . . . . 1.22 109.535 173.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.644 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.0 tt0 -57.5 -23.91 52.89 Favored 'General case' 0 C--O 1.219 -0.518 0 CA-C-N 114.507 -1.224 . . . . 2.72 109.813 171.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.12 -38.07 12.98 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 114.01 1.115 . . . . 0.49 114.01 -175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.511 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.8 OUTLIER -71.02 -43.04 68.74 Favored 'General case' 0 N--CA 1.443 -0.813 0 N-CA-C 109.53 -0.545 . . . . 1.34 109.53 -179.039 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.8 mt -63.13 -45.26 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.39 111.339 177.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.644 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.2 mt -64.57 -31.22 72.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.895 0.379 . . . . 0.45 111.372 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.434 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 9.5 t60 -65.7 -49.2 69.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.166 -0.47 . . . . 1.23 109.984 172.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.511 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 23.7 m-85 -57.67 -46.23 84.55 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.78 0.8 . . . . 0.68 110.137 176.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.79 -45.14 90.53 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.073 -1.422 . . . . 0.58 112.008 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -76.14 -18.88 58.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.712 0.291 . . . . 1.2 111.237 -176.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.3 mm-40 -85.94 -3.16 58.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.764 0.316 . . . . 2.22 110.596 176.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.5 mt -81.92 151.97 27.01 Favored 'General case' 0 N--CA 1.436 -1.148 0 CA-C-O 121.806 0.812 . . . . 1.11 110.686 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -144.39 160.48 40.99 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-N 114.0 -1.454 . . . . 2.83 111.808 -179.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.85 -138.51 49.42 Favored Glycine 0 C--N 1.331 0.294 0 CA-C-N 115.417 -0.811 . . . . 0.74 113.287 176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -59.58 -38.36 80.97 Favored 'General case' 0 CA--C 1.514 -0.442 0 C-N-CA 122.481 0.313 . . . . 2.37 110.902 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.56 -48.72 80.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.183 0.516 . . . . 0.43 109.984 -176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tmtt? -59.02 -53.53 57.31 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.273 -0.876 . . . . 1.62 109.551 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -45.88 70.6 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 123.585 0.553 . . . . 2.49 110.85 178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 40.1 mt-10 -66.82 -48.27 69.46 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 116.537 -0.301 . . . . 2.27 110.652 -177.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.7 -50.26 74.55 Favored 'General case' 0 C--N 1.317 -0.814 0 C-N-CA 119.748 -0.781 . . . . 0.37 109.358 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 88.0 m -47.08 -50.15 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.977 0.732 . . . . 0.51 112.977 177.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 55' ' ' GLU . 13.4 pt-20 -70.53 -22.87 62.57 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.21 -0.905 . . . . 1.71 111.299 -179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -77.48 -48.29 17.47 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.489 -0.56 . . . . 0.77 109.489 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.426 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.8 mp -60.43 -31.76 70.7 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 115.998 -0.546 . . . . 0.62 111.306 172.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' HD2' ' HA ' ' A' ' 58' ' ' GLU . 88.3 mttt -60.64 -56.39 21.86 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 109.778 -0.453 . . . . 0.67 109.778 175.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.46 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -57.25 -37.73 82.38 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 121.136 -0.554 . . . . 0.59 112.227 175.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -58.88 -54.74 35.43 Favored Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.2 -0.524 . . . . 0.5 112.458 174.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 67' ' ' ILE . 51.5 t -67.87 -24.06 65.2 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.111 0.481 . . . . 1.13 110.1 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 39.3 ttm180 -61.28 -42.84 99.32 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.475 -0.565 . . . . 3.8 109.475 173.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -66.16 -32.56 74.07 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.917 0.389 . . . . 2.02 109.989 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.619 ' O ' HG12 ' A' ' 71' ' ' VAL . 39.5 mm -61.14 -53.94 42.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.047 -0.524 . . . . 0.81 109.649 173.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.542 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 16.7 tp -67.15 -31.28 71.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.868 -0.605 . . . . 1.71 110.659 -177.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 46.2 mtpt -65.69 -13.99 60.35 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.73 -1.123 . . . . 2.22 110.531 174.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.55 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 14.5 t60 -101.19 -59.5 1.69 Allowed 'General case' 0 N--CA 1.442 -0.844 0 CA-C-O 121.654 0.74 . . . . 1.76 109.89 177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.3 p -65.75 -47.75 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 CA-C-N 114.62 -1.173 . . . . 1.46 112.718 -170.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.647 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -93.97 -21.04 6.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.329 0.585 . . . . 0.8 109.855 178.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.61 174.64 36.92 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.481 -0.781 . . . . 0.55 111.879 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -65.9 -37.41 86.02 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.873 -0.418 . . . . 2.31 109.873 178.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 23.8 tt0 -43.75 -67.13 0.3 Allowed 'General case' 0 N--CA 1.465 0.32 0 O-C-N 124.005 0.816 . . . . 2.0 112.92 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.647 ' HB2' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -73.66 -40.68 63.53 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 116.111 -0.495 . . . . 1.43 111.6 -169.773 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.68 -27.06 68.98 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.954 0.407 . . . . 0.7 110.126 179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.9 -37.61 67.21 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 115.899 -0.591 . . . . 0.73 110.211 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 14.3 mt-10 -75.21 -26.88 59.29 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.933 -0.576 . . . . 1.33 110.464 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 44.6 mt -80.89 -36.38 31.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.049 -0.523 . . . . 0.98 110.687 176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 12.8 tppt? -58.87 -52.65 64.82 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.74 -0.467 . . . . 2.12 109.74 172.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.69 -30.35 70.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.939 -0.573 . . . . 1.54 109.944 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.6 mt -62.79 -44.12 97.0 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 109.557 -0.534 . . . . 1.37 109.557 177.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -57.88 -55.67 31.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.659 -0.701 . . . . 2.27 110.934 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -68.56 -23.73 64.53 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.15 0.426 . . . . 2.52 112.15 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.6 t -80.87 -10.73 59.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.155 0.503 . . . . 1.52 110.451 179.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.12 33.8 3.12 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.579 -0.819 . . . . 0.92 112.925 175.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -74.94 124.26 26.61 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 107.793 -1.188 . . . . 0.83 107.793 170.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 m -72.35 174.37 7.43 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.008 -1.451 . . . . 1.6 110.273 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 126' ' ' VAL . 74.5 mmtt -56.01 -38.28 70.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.823 0.344 . . . . 2.96 110.858 -176.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -72.72 -40.08 66.43 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.85 0.685 . . . . 2.34 112.85 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.651 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 12.7 mm-40 -55.19 -42.69 73.57 Favored 'General case' 0 C--O 1.218 -0.57 0 C-N-CA 123.072 0.549 . . . . 1.45 111.021 174.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.846 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 66.6 mt -73.24 -37.95 66.18 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.819 -1.178 . . . . 1.08 107.819 173.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -68.68 -38.75 80.58 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 120.195 1.361 . . . . 2.06 110.717 -172.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.44 -52.25 5.01 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.488 -0.778 . . . . 0.93 112.161 -175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 70.8 mmtt -61.27 -23.39 65.63 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.608 0.596 . . . . 3.11 112.608 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.846 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -64.33 -37.63 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-N 115.924 -0.58 . . . . 0.97 109.839 173.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.63 -26.27 59.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.822 -0.626 . . . . 2.03 111.123 -175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -67.51 -36.93 82.0 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.67 -0.493 . . . . 2.48 109.67 175.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.508 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -74.1 -45.33 49.79 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.592 -0.731 . . . . 0.63 110.612 176.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.6 mm? -66.85 -19.74 65.79 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.814 -0.63 . . . . 1.4 112.202 178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -83.64 -46.48 12.29 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.857 -0.794 . . . . 2.48 108.857 172.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -62.66 -7.63 5.16 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.023 0.749 . . . . 0.64 113.023 -171.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.503 HG11 HD11 ' A' ' 113' ' ' ILE . 2.6 p -87.62 146.91 5.68 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 CA-C-O 121.099 0.476 . . . . 1.68 110.06 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 10.2 p -144.88 8.33 1.26 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.804 0.668 . . . . 1.03 112.804 -173.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.482 ' O ' ' HB2' ' A' ' 109' ' ' LYS . 11.0 t70 -83.79 122.32 28.51 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.132 -0.627 . . . . 2.07 109.669 172.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -52.26 -50.26 62.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.147 -0.933 . . . . 3.18 112.752 -164.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 19.3 tt0 -53.97 -42.58 69.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.291 -0.868 . . . . 2.78 111.198 178.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 11.0 mptt -61.23 -46.92 88.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.593 -0.73 . . . . 1.81 110.216 -179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.1 mtmp? -72.51 -12.54 61.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.466 0.651 . . . . 1.14 111.94 -176.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 24.1 mm-40 -65.74 -39.36 91.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.774 -1.103 . . . . 1.69 110.332 169.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.55 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 22.5 m-85 -72.45 -33.0 66.75 Favored 'General case' 0 CA--C 1.518 -0.257 0 N-CA-C 109.494 -0.558 . . . . 0.92 109.494 178.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.503 HD11 HG11 ' A' ' 104' ' ' VAL . 53.6 mt -57.25 -43.88 82.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.593 -0.73 . . . . 0.72 110.68 175.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.26 -41.86 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.942 -0.572 . . . . 0.63 110.575 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -68.87 -63.39 1.07 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.892 0.377 . . . . 1.73 111.559 -178.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.59 -25.86 15.45 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 112.264 0.468 . . . . 1.62 112.264 -170.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.17 -68.01 0.87 Allowed Glycine 0 CA--C 1.537 1.447 0 N-CA-C 115.335 0.894 . . . . 0.56 115.335 -172.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.433 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 32.8 Cg_exo -59.46 -31.17 94.26 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.697 2.265 . . . . 0.65 112.686 -175.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -81.26 -31.45 33.71 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.019 -0.537 . . . . 0.46 111.171 -179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 92.6 m -56.2 -32.41 64.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.225 -0.443 . . . . 1.17 110.572 170.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 118' ' ' PRO . 0.2 OUTLIER -55.47 -54.06 48.53 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 112.477 0.547 . . . . 1.47 112.477 178.121 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.493 ' HD2' HD22 ' A' ' 42' ' ' LEU . 4.9 ptpp? -65.4 -30.85 71.7 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 120.386 -0.525 . . . . 1.5 110.154 175.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' ALA . 70.6 mt -66.96 -47.88 81.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 122.301 1.048 . . . . 0.54 112.171 -177.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 126' ' ' VAL . 60.2 m-85 -77.3 21.48 0.25 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 113.502 -1.681 . . . . 1.28 110.691 172.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 123' ' ' ILE . . . -18.27 31.76 0.0 OUTLIER Glycine 0 N--CA 1.483 1.828 0 C-N-CA 128.617 3.008 . . . . 0.86 119.479 -151.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' A' ' 124' ' ' TYR . 14.3 m -44.19 -29.21 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 124.476 1.11 . . . . 1.53 112.981 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -59.48 -33.18 71.01 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.242 0.544 . . . . 2.77 109.977 177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.1 p -114.73 106.51 14.3 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.533 -0.758 . . . . 3.63 110.063 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.247 0.97 0 CA-C-O 118.616 -0.707 . . . . 5.56 110.515 -177.189 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . 0.442 ' O ' ' HD3' ' A' ' -2' ' ' PRO . . . . . . . . 0 N--CA 1.482 1.748 0 N-CA-C 112.103 -0.399 . . . . 12.2 112.103 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 15.1 p -98.1 108.14 45.08 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-O 120.576 0.227 . . . . 10.23 110.726 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . 0.442 ' HD3' ' O ' ' A' ' -4' ' ' GLY . 33.3 Cg_exo -60.72 147.21 95.68 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.777 2.318 . . . . 9.01 111.563 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 73.44 -42.62 0.53 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.817 0.698 . . . . 8.29 111.648 -178.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -85.63 80.65 8.94 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.583 0.706 . . . . 5.37 110.668 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -124.62 -74.78 0.6 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.453 -0.794 . . . . 5.61 109.281 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -130.2 -168.54 1.98 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.832 -0.803 . . . . 3.83 108.832 171.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -77.1 106.24 8.68 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.77 -0.456 . . . . 1.22 109.77 177.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 p -137.27 162.54 33.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.43 -0.581 . . . . 0.96 109.43 -178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.622 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 77.2 mt -77.55 -20.5 54.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.294 -0.412 . . . . 1.67 111.936 -177.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 38.8 mt-10 -62.38 -50.72 70.44 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 107.09 -1.448 . . . . 1.8 107.09 166.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.4 m -50.27 -26.13 4.44 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.11 0.868 . . . . 1.14 112.674 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.515 ' CB ' HD23 ' A' ' 13' ' ' LEU . 26.5 m -98.17 -17.33 19.07 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.689 1.366 . . . . 1.02 114.689 -173.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 87.9 mt -48.89 -38.08 21.6 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 116.16 1.911 . . . . 1.04 116.16 -166.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -101.46 0.26 36.43 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.299 -0.864 . . . . 1.32 111.207 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.2 p -122.82 -98.23 0.44 Allowed 'General case' 0 N--CA 1.439 -0.993 0 CA-C-O 121.558 0.694 . . . . 0.69 111.835 -178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.487 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 49.6 m-70 -60.74 -41.58 95.67 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 115.241 -0.89 . . . . 1.5 112.055 -177.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.515 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -105.84 23.68 13.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.928 0.871 . . . . 1.13 112.793 -172.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.0 ptmt -70.5 -19.94 62.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 114.509 -1.223 . . . . 1.69 111.887 -175.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.6 p-90 -75.88 -5.31 45.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.481 -0.781 . . . . 0.35 110.776 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD11 HD12 ' A' ' 13' ' ' LEU . 88.4 mt -75.92 143.95 41.37 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.669 -0.863 . . . . 0.31 108.669 172.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -72.82 159.86 33.09 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.647 -1.16 . . . . 1.24 108.953 176.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -53.96 -48.55 70.18 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 118.643 0.656 . . . . 1.91 109.944 -179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -57.53 -34.34 69.03 Favored 'General case' 0 N--CA 1.441 -0.884 0 CA-C-N 116.299 -0.41 . . . . 2.49 110.581 178.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.706 ' O ' HD23 ' A' ' 24' ' ' LEU . 52.5 mt-30 -73.78 -47.05 41.71 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.647 -0.501 . . . . 1.57 109.647 178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 56.6 mttp -52.57 -49.19 65.45 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.433 -0.58 . . . . 0.95 109.433 176.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.529 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 20.7 t70 -65.31 -36.75 85.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.759 -1.11 . . . . 0.67 111.478 177.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 9.3 tt0 -59.83 -49.77 76.41 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 118.242 0.474 . . . . 1.43 111.01 172.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.706 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.3 mm? -63.99 -38.1 89.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.824 0.345 . . . . 1.33 110.419 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 88.4 mt -63.19 -41.96 99.26 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.069 -0.514 . . . . 1.06 111.052 176.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 74.2 mmtt -65.59 -42.89 91.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.847 0.356 . . . . 3.24 110.074 178.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 26.1 mmm -56.31 -55.69 30.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.807 -0.633 . . . . 0.92 111.537 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.9 tptp -60.05 -40.08 88.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 2.44 110.779 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.35 -45.23 85.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.745 -0.661 . . . . 2.69 111.914 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -76.81 8.28 3.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.463 0.649 . . . . 2.14 112.437 -173.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.22 21.46 48.99 Favored Glycine 0 N--CA 1.443 -0.846 0 CA-C-N 114.851 -1.068 . . . . 0.63 112.449 170.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -67.42 148.04 52.1 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.506 -0.924 . . . . 1.65 108.506 172.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.411 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.52 148.72 44.74 Favored 'General case' 0 C--N 1.308 -1.231 0 CA-C-N 115.722 -0.672 . . . . 0.59 110.08 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -50.78 -36.97 39.66 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.821 0.343 . . . . 2.97 110.531 178.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -63.63 -19.06 64.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.3 -0.409 . . . . 2.82 111.882 179.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.411 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 33.9 mt-10 -87.19 -23.55 24.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 122.846 1.307 . . . . 0.85 109.995 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.514 ' HB3' HD11 ' A' ' 5' ' ' LEU . 3.3 mm? -76.96 -41.71 42.03 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 112.519 -2.128 . . . . 1.22 110.294 170.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.611 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 44.2 mt-10 -67.57 -15.74 63.82 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 115.364 -0.835 . . . . 2.72 110.678 176.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.98 -41.17 11.89 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.793 -0.639 . . . . 0.49 112.196 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -59.78 -50.55 73.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 114.889 -1.05 . . . . 1.34 110.464 174.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.51 -43.45 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.207 -0.451 . . . . 0.39 111.775 -178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 23.7 mt -62.78 -35.37 79.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.081 0.467 . . . . 0.45 111.24 178.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -62.04 -47.49 84.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.57 -0.741 . . . . 1.23 110.298 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.6 m-85 -59.53 -49.93 75.87 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.466 0.65 . . . . 0.68 110.154 174.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' CZ ' ' HE2' ' A' ' 53' ' ' LYS . 53.1 t80 -51.64 -48.65 63.27 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.072 -1.422 . . . . 0.58 111.732 -177.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -76.68 -16.07 59.63 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.92 -0.312 . . . . 1.2 111.475 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -95.13 -1.04 52.76 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 122.03 -0.419 . . . . 2.22 110.961 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 27.9 mt -64.9 149.22 50.0 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 122.462 1.125 . . . . 1.11 113.14 -175.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.617 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 20.7 mm-40 -68.52 176.98 2.61 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 112.457 -2.156 . . . . 2.83 110.506 175.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.09 -64.34 4.43 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 121.327 -0.464 . . . . 0.74 113.949 -173.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -77.33 -29.85 53.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 122.619 -0.342 . . . . 2.37 110.696 -175.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.99 -42.55 98.59 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.752 -0.462 . . . . 0.43 109.752 174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 3.1 tmtp? -55.94 -56.16 23.98 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.376 -0.829 . . . . 1.62 109.559 176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -51.17 -51.43 53.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.153 -0.93 . . . . 2.49 111.25 -178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -64.8 -48.79 73.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.382 -0.826 . . . . 2.27 110.862 -177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.405 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.31 -50.96 71.57 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.176 -0.61 . . . . 0.37 109.813 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.501 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 90.6 m -48.71 -47.4 41.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.344 0.593 . . . . 0.51 112.379 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.411 ' HA ' ' HD2' ' A' ' 61' ' ' LYS . 36.8 mt-10 -69.53 -22.86 63.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.081 -0.963 . . . . 1.71 111.446 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 44.0 m-70 -80.19 -47.86 14.04 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.614 -0.513 . . . . 0.77 109.614 176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -58.13 -32.28 68.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.667 -0.697 . . . . 0.62 111.461 172.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 57' ' ' THR . 92.0 mttt -58.79 -53.64 56.1 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.27 -0.27 . . . . 0.67 110.27 175.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -56.5 -38.58 81.1 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 121.223 -0.513 . . . . 0.59 112.398 175.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.42 -47.99 88.4 Favored Glycine 0 C--N 1.33 0.237 0 C-N-CA 120.718 -0.753 . . . . 0.5 111.963 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.8 t -61.62 -38.1 86.42 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.02 -0.363 . . . . 1.13 110.02 176.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.571 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 8.5 tmm_? -54.83 -46.86 74.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.734 -0.666 . . . . 3.8 110.816 177.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -63.72 -39.74 95.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.621 0.248 . . . . 2.02 111.413 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.659 ' O ' HG12 ' A' ' 71' ' ' VAL . 60.4 mt -69.28 -41.47 81.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.948 -0.301 . . . . 0.81 110.696 177.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 15.6 tp -67.0 -23.23 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.509 0.671 . . . . 1.71 109.542 177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.571 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 49.8 mtpt -72.45 -12.37 61.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.453 -1.248 . . . . 2.22 110.819 173.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.549 ' O ' ' HE3' ' A' ' 109' ' ' LYS . 9.5 t60 -100.53 -58.44 1.9 Allowed 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 108.381 -0.97 . . . . 1.76 108.381 178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.3 p -68.03 -46.7 81.2 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 114.238 -1.346 . . . . 1.46 112.787 -170.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.668 HG13 ' HB3' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.57 -11.42 8.6 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-O 121.437 0.637 . . . . 0.8 110.014 178.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.8 162.06 36.94 Favored Glycine 0 N--CA 1.446 -0.638 0 CA-C-N 115.384 -0.825 . . . . 0.55 112.391 176.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -66.88 -26.95 67.13 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.358 . . . . 2.31 110.128 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 5.9 tp10 -52.14 -63.91 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.405 -0.816 . . . . 2.0 111.611 170.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.668 ' HB3' HG13 ' A' ' 72' ' ' VAL . 3.4 tppp? -81.1 -32.73 33.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.855 -0.611 . . . . 1.43 111.158 -169.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.54 -27.06 69.0 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.662 -0.496 . . . . 0.7 109.662 175.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.6 -37.87 67.98 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.73 109.759 174.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.571 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 32.4 mt-10 -72.73 -31.56 65.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 1.33 110.745 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 68.9 mt -77.11 -26.99 53.89 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.086 -0.506 . . . . 0.98 110.66 175.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 84' ' ' LYS . 9.6 tmtt? -73.19 -50.76 20.75 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.08 -0.711 . . . . 2.12 109.08 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -65.78 -36.98 85.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.984 -0.553 . . . . 1.54 109.634 -179.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.61 -55.44 22.39 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.686 -0.487 . . . . 1.37 109.686 174.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 81' ' ' LYS . 40.2 tttm -44.16 -64.28 0.71 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 115.574 -0.739 . . . . 2.27 112.5 177.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -70.76 -18.03 62.78 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 113.019 0.748 . . . . 2.52 113.019 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 47.0 m -83.82 -7.1 59.53 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.307 0.575 . . . . 1.52 110.562 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.37 40.18 1.27 Allowed Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.722 -0.751 . . . . 0.92 112.474 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -83.5 119.73 25.05 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.367 -0.975 . . . . 0.83 108.367 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 4.4 m -74.83 176.3 7.2 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-N 114.314 -1.312 . . . . 1.6 109.631 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -49.24 -43.13 42.5 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.831 0.348 . . . . 2.96 111.33 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -77.81 -40.32 40.94 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 112.747 0.647 . . . . 2.34 112.747 -173.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.68 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 39.0 mm-40 -54.41 -42.16 70.15 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 118.171 0.441 . . . . 1.45 110.51 174.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.553 ' O ' HG23 ' A' ' 97' ' ' VAL . 24.3 mt -70.25 -37.63 74.97 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.707 -0.849 . . . . 1.08 108.707 172.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.618 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 25.4 ttpp -67.5 -39.85 85.19 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 120.427 1.467 . . . . 2.06 109.713 -176.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.71 -16.64 33.75 Favored 'General case' 0 N--CA 1.442 -0.84 0 CA-C-N 115.419 -0.81 . . . . 0.93 111.945 -176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 14.9 tptp -69.9 -60.88 2.03 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 114.228 -1.351 . . . . 3.11 110.176 166.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 93' ' ' LEU . 75.0 t -48.94 -43.98 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 113.957 -1.474 . . . . 0.97 112.991 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 12.8 mm-40 -54.57 -48.24 72.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.849 0.357 . . . . 2.03 110.73 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -62.77 -42.22 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 2.48 110.499 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.436 ' HB1' ' HG2' ' A' ' 76' ' ' LYS . . . -69.77 -44.02 71.01 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.284 -0.416 . . . . 0.63 111.659 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' HB3' HD13 ' A' ' 113' ' ' ILE . 60.7 mt -76.96 -9.65 58.83 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.552 -0.295 . . . . 1.4 111.727 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -86.2 -50.31 7.08 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.296 -1.001 . . . . 2.48 108.296 171.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.56 -3.38 2.13 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 113.284 0.846 . . . . 0.64 113.284 -173.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.678 HG11 HD11 ' A' ' 113' ' ' ILE . 7.5 p -87.82 148.29 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 CA-C-O 121.044 0.45 . . . . 1.68 110.464 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 18.6 p -144.43 9.48 1.41 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.919 -0.712 . . . . 1.03 112.666 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.537 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.9 t70 -82.9 122.31 28.09 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 120.133 -0.627 . . . . 2.07 111.121 171.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -52.15 -52.13 53.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.17 -0.923 . . . . 3.18 113.357 -166.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 10.8 mm-40 -53.55 -46.07 70.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.563 -0.744 . . . . 2.78 111.047 177.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.621 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.9 mttp -58.8 -49.47 77.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 121.051 0.453 . . . . 1.81 110.476 177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 9.2 mtmp? -71.82 -15.66 62.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.513 0.673 . . . . 1.14 111.707 -177.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 23.8 tp60 -65.49 -39.12 91.53 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.954 -1.021 . . . . 1.69 109.918 169.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.485 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 55.8 m-85 -71.16 -30.63 66.7 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 110.224 -0.287 . . . . 0.92 110.224 178.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.678 HD11 HG11 ' A' ' 104' ' ' VAL . 55.0 mt -65.28 -50.61 72.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 120.97 0.414 . . . . 0.72 111.34 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.41 -41.75 72.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.428 -0.351 . . . . 0.63 110.893 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 30.4 t70 -81.05 -53.75 6.15 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.209 -0.451 . . . . 1.73 111.637 -173.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.626 ' CE2' ' HB2' ' A' ' 120' ' ' CYS . 65.4 t80 -100.98 -21.14 15.13 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 112.671 0.619 . . . . 1.62 112.671 -173.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.424 ' N ' ' HD2' ' A' ' 118' ' ' PRO . . . -49.09 -58.68 7.6 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.371 0.908 . . . . 0.56 115.371 -172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 117' ' ' GLY . 17.3 Cg_endo -56.7 -31.51 87.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.823 2.349 . . . . 0.65 113.515 -175.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.416 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -85.91 -35.85 20.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.996 0.427 . . . . 0.46 111.148 -178.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.626 ' HB2' ' CE2' ' A' ' 116' ' ' PHE . 27.2 t -57.78 -35.6 71.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.364 0.602 . . . . 1.17 110.032 170.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.482 ' HB3' ' HB2' ' A' ' 127' ' ' HIS . 3.7 tptm -57.2 -54.17 49.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.081 -0.963 . . . . 1.47 110.863 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.834 ' HA ' ' O ' ' A' ' 126' ' ' VAL . 15.2 ptpt -62.84 -32.81 74.1 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 119.721 -0.792 . . . . 1.5 109.624 178.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.483 HD13 ' HB3' ' A' ' 60' ' ' LEU . 22.7 mt -62.01 -38.24 80.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 113.515 0.931 . . . . 0.54 113.515 -168.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -85.03 -76.25 0.32 Allowed 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 118.959 -1.096 . . . . 1.28 111.942 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -117.16 -44.34 0.57 Allowed Glycine 0 C--N 1.308 -0.986 0 CA-C-N 114.223 -1.353 . . . . 0.86 114.301 -175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.834 ' O ' ' HA ' ' A' ' 122' ' ' LYS . 7.8 m -117.26 -159.42 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.988 0 CA-C-N 113.28 -1.46 . . . . 1.53 112.99 -148.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.482 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 11.3 t60 63.15 33.22 14.62 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.852 0.72 . . . . 2.77 110.864 175.244 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 28.9 m -85.14 -34.19 22.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.399 -0.819 . . . . 3.63 109.119 174.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.5 m . . . . . 0 C--O 1.251 1.177 0 CA-C-N 114.847 -1.069 . . . . 5.56 109.491 177.336 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 112.34 -0.304 . . . . 12.2 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 27.3 m -79.52 122.84 84.27 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 116.621 0.211 . . . . 10.23 110.806 -178.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_endo -72.79 95.69 0.82 Allowed 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.652 2.235 . . . . 9.01 111.421 177.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -107.73 152.34 24.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.004 -0.544 . . . . 8.29 110.015 -178.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -140.56 156.86 46.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.745 -0.661 . . . . 5.37 110.529 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.9 t-160 -58.97 -72.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.462 -0.336 . . . . 5.61 110.226 -177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -137.21 -72.13 0.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.136 -0.691 . . . . 3.83 109.136 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -147.31 144.96 29.17 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.279 -1.008 . . . . 1.22 108.279 174.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.4 p -142.24 153.76 44.22 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.96 110.006 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.627 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.3 mp -70.38 -26.78 63.87 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 113.383 0.883 . . . . 1.67 113.383 -174.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.577 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 3.6 mp0 -56.93 -46.62 81.92 Favored 'General case' 0 N--CA 1.463 0.208 0 N-CA-C 108.603 -0.888 . . . . 1.8 108.603 167.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.7 m -51.62 -23.56 4.45 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.191 0.811 . . . . 1.14 113.191 -176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.453 ' CB ' HD23 ' A' ' 13' ' ' LEU . 54.1 p -99.1 -19.27 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 114.675 1.361 . . . . 1.02 114.675 -177.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 61.4 mt -58.61 -26.77 64.02 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 116.734 2.124 . . . . 1.04 116.734 -160.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -102.94 1.75 34.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.809 -1.087 . . . . 1.32 110.869 176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.0 p -125.75 -95.23 0.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.257 0.551 . . . . 0.69 111.988 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 59.7 m-70 -61.81 -39.29 91.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.387 -0.824 . . . . 1.5 111.338 -176.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -108.42 24.17 13.43 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.612 0.72 . . . . 1.13 112.696 -172.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 21.0 pttp -74.63 -14.03 60.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.118 -0.947 . . . . 1.69 111.886 -176.203 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 -76.68 -8.06 56.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.772 179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD11 HD12 ' A' ' 13' ' ' LEU . 76.1 mt -73.99 146.3 43.92 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 108.492 -0.929 . . . . 0.31 108.492 173.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.7 m -71.6 162.13 29.93 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.587 -1.188 . . . . 1.24 109.567 177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -57.87 -46.74 84.39 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 108.748 -0.834 . . . . 1.91 108.748 177.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -55.43 -35.43 65.41 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-N 115.576 -0.738 . . . . 2.49 110.663 176.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.711 ' O ' HD23 ' A' ' 24' ' ' LEU . 78.0 mt-30 -73.35 -41.7 63.12 Favored 'General case' 0 C--O 1.223 -0.328 0 CA-C-N 116.456 -0.338 . . . . 1.57 110.11 177.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HG3' HD22 ' A' ' 9' ' ' LEU . 2.4 mptm? -51.33 -53.69 33.63 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.394 0.616 . . . . 0.95 109.788 172.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -67.42 -29.03 68.41 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.777 -1.101 . . . . 0.67 112.272 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -63.72 -57.49 9.83 Favored 'General case' 0 N--CA 1.444 -0.736 0 O-C-N 122.178 -0.326 . . . . 1.43 110.92 169.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.6 mm? -63.07 -41.01 99.35 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 122.712 0.405 . . . . 1.33 110.884 -175.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.76 -40.44 95.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.261 -0.427 . . . . 1.06 110.861 176.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.495 ' HE2' ' OD2' ' A' ' 30' ' ' ASP . 23.3 tptm -66.02 -41.23 91.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.841 -0.429 . . . . 3.24 109.841 179.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.401 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 27.3 mmm -55.59 -55.88 26.81 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.888 -0.597 . . . . 0.92 111.795 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -61.14 -38.31 85.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.196 0.522 . . . . 2.44 110.779 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -65.6 -39.29 91.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.574 -0.739 . . . . 2.69 112.179 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.495 ' OD2' ' HE2' ' A' ' 26' ' ' LYS . 31.6 m-20 -85.44 3.94 37.85 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.541 0.686 . . . . 2.14 112.33 -175.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.03 23.35 38.46 Favored Glycine 0 N--CA 1.442 -0.963 0 C-N-CA 120.225 -0.988 . . . . 0.63 112.45 173.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 76.0 mmtt -67.04 145.53 55.28 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.972 -1.122 . . . . 1.65 107.972 170.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.462 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -70.12 155.97 39.86 Favored 'General case' 0 C--N 1.308 -1.216 0 CA-C-N 116.145 -0.48 . . . . 0.59 110.15 -179.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 37' ' ' LEU . 10.7 ptmm? -57.26 -37.18 71.95 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.03 -0.532 . . . . 2.97 109.711 176.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -60.1 -22.97 63.44 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.089 -0.505 . . . . 2.82 111.461 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 32.9 mt-10 -82.71 -23.8 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 122.811 1.291 . . . . 0.85 110.305 -178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.47 HD12 ' HA ' ' A' ' 34' ' ' LYS . 31.3 mt -80.79 -41.95 22.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 112.633 -2.076 . . . . 1.22 109.813 173.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 36.8 mt-10 -61.47 -21.51 64.24 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 114.969 -1.014 . . . . 2.72 110.748 176.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -92.33 -38.86 11.81 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 113.109 0.781 . . . . 0.49 113.109 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 16.7 tppt? -63.1 -47.91 80.84 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.585 -0.734 . . . . 1.34 110.554 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.8 mt -65.34 -43.95 94.84 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.263 -0.426 . . . . 0.39 111.248 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 26.0 mt -64.08 -32.51 74.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.753 0.311 . . . . 0.45 111.535 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -67.33 -47.77 69.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.537 174.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.591 ' HE2' HD21 ' A' ' 24' ' ' LEU . 19.5 m-30 -58.79 -46.59 87.22 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.28 0.562 . . . . 0.68 110.34 176.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -52.89 -47.65 67.74 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 114.722 -1.126 . . . . 0.58 110.962 178.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.14 -17.51 61.38 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 116.016 -0.538 . . . . 1.2 112.257 -175.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.98 12.81 31.1 Favored 'General case' 0 CA--C 1.533 0.311 0 O-C-N 121.836 -0.54 . . . . 2.22 111.609 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.9 mt -70.69 -163.64 0.08 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 113.198 0.814 . . . . 1.11 113.198 -177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 38.3 mt-10 -130.59 -164.81 1.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.846 -1.07 . . . . 2.83 109.323 -172.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.55 -79.58 0.1 Allowed Glycine 0 CA--C 1.523 0.568 0 C-N-CA 121.214 -0.517 . . . . 0.74 113.867 -175.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -71.97 -25.49 61.88 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.501 -0.411 . . . . 2.37 109.934 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.525 ' O ' ' HG2' ' A' ' 55' ' ' GLU . . . -62.73 -47.12 84.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.325 0.583 . . . . 0.43 109.835 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 22.9 tptm -57.2 -57.59 11.91 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.433 -0.803 . . . . 1.62 109.127 179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -46.5 70.4 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.19 0.931 . . . . 2.49 110.935 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG2' ' O ' ' A' ' 52' ' ' ALA . 5.4 pt-20 -66.41 -46.98 74.71 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.534 -0.543 . . . . 2.27 109.534 -175.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.45 -50.56 72.29 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 120.456 -0.498 . . . . 0.37 109.812 178.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 58.8 m -49.41 -45.9 46.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.721 0.772 . . . . 0.51 112.103 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -64.08 -31.35 72.51 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 114.541 -1.208 . . . . 1.71 111.455 177.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 19.2 m-70 -76.41 -48.63 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.632 -0.507 . . . . 0.77 109.632 -179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -57.74 -33.78 68.83 Favored 'General case' 0 N--CA 1.442 -0.866 0 CA-C-N 115.664 -0.698 . . . . 0.62 111.574 173.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 57' ' ' THR . 94.2 mttt -57.8 -57.08 14.32 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.578 -0.527 . . . . 0.67 109.578 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.605 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -54.8 -41.15 74.55 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.967 -0.561 . . . . 0.59 112.184 176.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -55.12 -50.13 60.39 Favored Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.91 -0.662 . . . . 0.5 112.455 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.4 t -67.15 -32.94 74.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 1.13 110.414 177.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -61.75 -38.96 89.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.98 -0.555 . . . . 3.8 110.292 176.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.605 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 13.1 mm-40 -66.79 -35.69 80.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.021 0.438 . . . . 2.02 110.257 177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.557 ' O ' HG12 ' A' ' 71' ' ' VAL . 73.5 mt -68.33 -41.77 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.52 . . . . 0.81 110.529 175.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.59 ' HA ' HG12 ' A' ' 71' ' ' VAL . 18.9 tp -65.78 -32.85 74.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.325 0.584 . . . . 1.71 109.798 177.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -65.05 -16.08 63.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.941 -1.027 . . . . 2.22 110.415 174.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -98.4 -54.26 3.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.503 -0.771 . . . . 1.76 110.174 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 68' ' ' LEU . 7.4 p -73.26 -48.25 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 CA-C-N 115.027 -0.988 . . . . 1.46 112.414 -171.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.559 ' CG1' ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -92.28 -20.47 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.125 0.488 . . . . 0.8 110.627 -176.831 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.45 39.55 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.846 -0.692 . . . . 0.55 112.247 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.6 mp0 -62.51 -36.65 83.23 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 110.326 -0.25 . . . . 2.31 110.326 178.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' HG2' ' HD2' ' A' ' 76' ' ' LYS . 30.1 tt0 -45.34 -64.54 0.7 Allowed 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 113.515 0.932 . . . . 2.0 113.515 -178.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.559 ' HB2' ' CG1' ' A' ' 72' ' ' VAL . 31.4 mmmt -75.64 -37.54 59.62 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 120.776 -0.37 . . . . 1.43 110.736 -170.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 80' ' ' LEU . . . -63.78 -29.04 70.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.953 0.406 . . . . 0.7 110.543 177.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.52 -44.33 64.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.998 -0.546 . . . . 0.73 110.96 177.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.53 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 6.1 pt-20 -75.39 -20.9 58.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 1.33 110.809 -177.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 77' ' ' ALA . 30.2 mt -70.36 -43.66 69.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.519 . . . . 0.98 111.187 168.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.4 tptp -61.29 -50.07 74.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.015 -0.539 . . . . 2.12 110.766 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -66.85 -35.89 81.08 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.213 -0.662 . . . . 1.54 109.213 178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.77 HD22 ' HB2' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -56.94 -51.47 69.05 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.266 -0.573 . . . . 1.37 110.079 -179.482 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.651 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 64.6 tttm -52.34 -51.8 56.79 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.697 -0.683 . . . . 2.27 111.597 179.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -70.86 -23.46 62.32 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.289 0.477 . . . . 2.52 112.289 -177.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 57.6 m -81.68 -7.87 59.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.974 0.416 . . . . 1.52 110.656 175.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 116.49 43.86 0.62 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.766 -0.731 . . . . 0.92 112.345 173.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.77 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -87.92 122.06 31.09 Favored 'General case' 0 C--N 1.319 -0.721 0 C-N-CA 120.023 -0.671 . . . . 0.83 109.428 172.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.463 ' OG ' ' HG2' ' A' ' 92' ' ' GLU . 46.5 p -74.06 175.51 7.38 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 114.887 -1.052 . . . . 1.6 109.303 174.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HB2' HG12 ' A' ' 126' ' ' VAL . 62.6 pttt -58.17 -33.55 69.35 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.825 -0.35 . . . . 2.96 110.605 -178.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -78.28 -40.33 37.29 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-N 116.574 -0.285 . . . . 2.34 111.503 -176.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 11.4 mm-40 -56.81 -38.79 73.07 Favored 'General case' 0 C--O 1.218 -0.604 0 O-C-N 122.111 -0.368 . . . . 1.45 110.493 175.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.59 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 16.4 mt -72.8 -31.43 64.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.05 -0.722 . . . . 1.08 109.05 171.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.593 ' O ' HG12 ' A' ' 97' ' ' VAL . 51.8 tttm -69.95 -43.58 71.29 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 119.682 1.128 . . . . 2.06 110.076 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.75 -16.58 35.94 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.336 -0.847 . . . . 0.93 111.453 -175.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.513 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 50.5 tptt -74.38 -56.15 5.19 Favored 'General case' 0 CA--C 1.521 -0.15 0 CA-C-N 114.175 -1.375 . . . . 3.11 110.372 166.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.596 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -50.19 -38.53 15.24 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-N 114.218 -1.355 . . . . 0.97 111.848 -177.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -72.05 -37.48 69.67 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 120.675 -0.41 . . . . 2.03 111.448 -178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -61.42 -44.38 97.24 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.935 -0.394 . . . . 2.48 109.935 171.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -64.18 -50.41 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.934 -0.576 . . . . 0.63 110.96 179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.596 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.6 mm? -61.02 -18.28 56.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.854 -0.612 . . . . 1.4 112.061 178.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -91.99 -50.69 5.57 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.398 -0.921 . . . . 2.48 110.388 173.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.21 -4.61 2.58 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 113.403 0.89 . . . . 0.64 113.403 -171.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.597 HG22 ' N ' ' A' ' 105' ' ' THR . 0.2 OUTLIER -67.26 -78.52 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 CA-C-N 117.962 0.346 . . . . 1.68 110.598 177.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.597 ' N ' HG22 ' A' ' 104' ' ' VAL . 15.9 p 73.14 128.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.633 1.208 . . . . 1.03 111.969 178.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.493 ' H ' ' HE2' ' A' ' 110' ' ' LYS . 10.2 t70 144.87 137.76 0.0 OUTLIER 'General case' 0 CA--C 1.508 -0.641 0 CA-C-N 111.285 -2.689 . . . . 2.07 106.75 176.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -58.1 -44.47 87.67 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 112.788 0.662 . . . . 3.18 112.788 -163.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.37 -36.19 66.05 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.634 -0.257 . . . . 2.78 111.264 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -59.56 -53.97 51.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.692 0.758 . . . . 1.81 109.883 173.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.639 ' HA ' HD12 ' A' ' 113' ' ' ILE . 52.4 mtmt -64.68 -11.64 37.91 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 114.982 -1.008 . . . . 1.14 112.345 177.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.48 ' O ' ' HB2' ' A' ' 115' ' ' ASP . 0.7 OUTLIER -67.96 -40.29 83.24 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.322 -0.854 . . . . 1.69 109.039 170.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -73.26 -33.67 65.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.597 0.713 . . . . 0.92 109.531 178.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.639 HD12 ' HA ' ' A' ' 110' ' ' LYS . 54.9 mt -61.22 -44.66 98.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.269 -0.878 . . . . 0.72 110.525 178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -73.97 -35.02 64.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.652 -0.704 . . . . 0.63 110.681 174.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.48 ' HB2' ' O ' ' A' ' 111' ' ' GLN . 16.6 t70 -74.24 -59.6 2.65 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.508 0.671 . . . . 1.73 111.223 -173.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.6 -23.09 15.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.068 -0.969 . . . . 1.62 111.871 -173.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.55 -64.81 1.94 Allowed Glycine 0 CA--C 1.536 1.37 0 C-N-CA 121.136 -0.554 . . . . 0.56 114.211 -176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.59 -48.02 22.52 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 123.007 2.471 . . . . 0.65 113.403 -178.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.476 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -68.76 -35.14 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.238 0.542 . . . . 0.46 110.933 -177.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 36.6 t -60.95 -29.09 69.43 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.67 -0.695 . . . . 1.17 110.814 173.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -41.03 96.57 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.14 0.422 . . . . 1.47 112.14 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.468 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 21.4 ptmt -72.03 -30.86 65.61 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 108.887 -0.783 . . . . 1.5 108.887 173.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 60' ' ' LEU . 63.0 mt -65.3 -48.03 84.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 122.652 1.215 . . . . 0.54 112.181 -178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 126' ' ' VAL . 12.8 m-85 -80.24 22.85 0.51 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 113.428 -1.715 . . . . 1.28 110.665 172.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -17.84 29.57 0.0 OUTLIER Glycine 0 N--CA 1.485 1.96 0 C-N-CA 128.427 2.917 . . . . 0.86 119.676 -149.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.4 m -57.03 -11.51 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 C-N-CA 123.887 0.875 . . . . 1.53 112.224 171.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -97.06 -8.56 30.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.857 0.36 . . . . 2.77 110.561 -179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 30.0 m -136.1 102.06 4.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.671 -0.241 . . . . 3.63 111.184 -176.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.2 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.188 -0.91 . . . . 5.56 111.136 177.202 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.796 -0.522 . . . . 12.2 111.796 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 44.1 t -149.59 121.96 4.29 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.677 0.275 . . . . 10.23 110.307 -178.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -77.7 1.14 9.13 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.833 2.356 . . . . 9.01 112.237 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -87.94 -16.09 34.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.235 -0.438 . . . . 8.29 110.18 176.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -71.7 101.55 2.58 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.143 -0.688 . . . . 5.37 109.143 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.408 ' H ' ' CD2' ' A' ' 1' ' ' HIS . 7.6 p80 -84.35 115.8 22.7 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.667 -0.697 . . . . 5.61 110.829 -174.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.8 m-70 -80.91 -65.17 1.05 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.395 -0.82 . . . . 3.83 110.231 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -144.05 97.82 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.998 -0.547 . . . . 1.22 110.701 -178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 36.3 p -132.42 156.84 45.98 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.988 -0.745 . . . . 0.96 108.988 177.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.66 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 9.6 mp -73.28 -23.28 60.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.651 -0.249 . . . . 1.67 111.561 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.44 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 36.3 mt-10 -57.08 -49.53 75.58 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 107.749 -1.204 . . . . 1.8 107.749 164.314 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 59.9 m -49.99 -25.62 3.51 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.442 0.904 . . . . 1.14 113.442 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' CB ' HD23 ' A' ' 13' ' ' LEU . 43.5 p -98.04 -22.96 15.98 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 115.122 1.527 . . . . 1.02 115.122 -173.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 53.5 mt -53.95 -31.46 50.55 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 116.83 2.159 . . . . 1.04 116.83 -161.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -104.22 5.41 34.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.51 -1.223 . . . . 1.32 111.2 178.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.565 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 24.3 p -131.53 -90.83 0.43 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.586 0.588 . . . . 0.69 112.586 176.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.541 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.2 m-70 -60.13 -42.63 95.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 1.5 111.552 -178.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -107.31 26.06 10.66 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.915 0.864 . . . . 1.13 112.377 -172.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.565 ' HG2' ' O ' ' A' ' 11' ' ' THR . 17.5 ptpt -69.5 -20.39 63.72 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 114.599 -1.182 . . . . 1.69 112.133 -176.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -75.83 -6.64 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.879 -177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 HD11 HD12 ' A' ' 13' ' ' LEU . 84.1 mt -77.06 152.87 34.88 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.865 -0.791 . . . . 0.31 108.865 173.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.4 p -84.93 164.0 18.61 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 114.856 -1.065 . . . . 1.24 109.379 175.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -56.02 -45.57 79.09 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 45.5 mt-10 -58.54 -41.46 85.6 Favored 'General case' 0 N--CA 1.442 -0.873 0 CA-C-N 115.765 -0.652 . . . . 2.49 111.184 179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.606 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -69.09 -45.1 71.1 Favored 'General case' 0 CA--C 1.52 -0.205 0 N-CA-C 109.646 -0.501 . . . . 1.57 109.646 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.635 ' O ' HD23 ' A' ' 25' ' ' LEU . 99.0 mttt -58.35 -50.48 73.51 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.853 -0.425 . . . . 0.95 109.853 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.587 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 32.0 t70 -63.17 -24.39 67.86 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.718 -0.673 . . . . 0.67 111.548 -179.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' HB2' ' O ' ' A' ' 20' ' ' GLN . 54.6 mm-40 -63.19 -52.24 63.13 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 118.456 0.571 . . . . 1.43 110.603 169.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.606 HD13 ' O ' ' A' ' 20' ' ' GLN . 6.9 mp -61.78 -48.96 78.3 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 122.832 0.453 . . . . 1.33 111.382 -178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.635 HD23 ' O ' ' A' ' 21' ' ' LYS . 3.8 mm? -55.81 -41.03 73.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-O 121.025 0.441 . . . . 1.06 111.016 174.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 18.4 ttmm -59.95 -47.96 83.67 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.561 -0.745 . . . . 3.24 110.256 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 21.5 mtm -65.37 -47.87 74.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.062 -0.972 . . . . 0.92 112.892 178.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.5 tmtt? -58.42 -41.92 86.08 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 118.161 0.437 . . . . 2.44 110.632 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 35.0 mtmm -73.54 -28.29 61.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.315 -0.402 . . . . 2.69 111.816 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -83.83 -3.18 57.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.97 0.891 . . . . 2.14 110.853 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.45 23.13 27.31 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.641 -1.163 . . . . 0.63 112.753 171.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -70.67 149.91 46.52 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 108.759 -0.83 . . . . 1.65 108.759 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.8 158.74 34.97 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 115.839 -0.619 . . . . 0.59 110.814 -178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.7 mptt -60.6 -35.51 76.3 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.395 -0.595 . . . . 2.97 109.395 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.71 -18.38 62.39 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.177 -0.465 . . . . 2.82 112.052 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -89.23 -26.24 21.31 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 122.827 1.299 . . . . 0.85 110.153 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.581 ' HB3' HD21 ' A' ' 5' ' ' LEU . 36.7 mt -76.81 -40.53 47.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 112.198 -2.274 . . . . 1.22 109.949 172.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -60.99 -19.6 61.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.18 -0.918 . . . . 2.72 110.007 173.475 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.61 -40.79 12.37 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 113.763 1.023 . . . . 0.49 113.763 -175.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.55 ' HD2' ' OH ' ' A' ' 44' ' ' TYR . 49.9 mmtt -60.55 -51.73 68.18 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.333 -0.394 . . . . 1.34 110.241 174.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.5 mt -56.66 -46.05 82.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.112 -0.495 . . . . 0.39 111.367 -179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.666 HD22 ' HD2' ' A' ' 122' ' ' LYS . 27.5 mt -65.98 -32.95 74.73 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.964 0.411 . . . . 0.45 111.908 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -66.86 -48.41 68.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.811 -0.632 . . . . 1.23 110.03 173.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.552 ' HE2' HD11 ' A' ' 24' ' ' LEU . 21.8 m-85 -60.23 -34.7 74.05 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.821 0.82 . . . . 0.68 110.141 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -68.06 -45.87 72.66 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 114.092 -1.413 . . . . 0.58 111.924 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.79 -16.77 58.12 Favored 'General case' 0 C--N 1.32 -0.676 0 C-N-CA 120.712 -0.395 . . . . 1.2 111.742 -172.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -93.46 9.59 35.91 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.574 0.226 . . . . 2.22 111.486 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 63.2 mt -69.31 -163.02 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-O 121.948 0.88 . . . . 1.11 112.899 -177.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 40.4 mt-10 -123.5 -151.61 0.48 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.858 -1.064 . . . . 2.83 109.909 -170.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -72.13 -86.13 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.875 -0.679 . . . . 0.74 112.187 179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -28.12 69.36 Favored 'General case' 0 C--O 1.221 -0.42 0 N-CA-C 110.379 -0.23 . . . . 2.37 110.379 178.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.05 -47.66 80.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.491 0.663 . . . . 0.43 109.962 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.516 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.6 tmtt? -69.74 -46.84 65.0 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 114.997 -1.001 . . . . 1.62 108.879 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -47.65 72.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.752 -0.658 . . . . 2.49 110.922 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -67.31 -46.39 73.7 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.197 -0.456 . . . . 2.27 110.771 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.411 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.9 -50.66 72.9 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.132 -0.627 . . . . 0.37 109.865 177.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.434 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 62.5 m -51.43 -43.33 62.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.537 0.684 . . . . 0.51 112.406 179.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -64.51 -30.61 71.64 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 114.771 -1.104 . . . . 1.71 111.247 177.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.541 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.4 m-70 -77.56 -49.76 13.98 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.8 -0.444 . . . . 0.77 109.8 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.2 mp -56.62 -32.41 65.28 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.638 -0.71 . . . . 0.62 111.563 174.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.9 mttt -60.26 -53.25 59.9 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 110.228 -0.286 . . . . 0.67 110.228 175.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.543 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -56.22 -41.29 86.25 Favored Glycine 0 C--O 1.226 -0.378 0 C-N-CA 121.122 -0.561 . . . . 0.59 112.17 175.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.74 -48.37 86.39 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.826 -0.702 . . . . 0.5 111.819 175.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 36.9 t -59.85 -40.61 89.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.475 -0.362 . . . . 1.13 110.165 175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.554 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 45.7 ttp180 -54.11 -45.78 71.97 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.895 -0.593 . . . . 3.8 110.453 177.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 15.4 mm-40 -62.03 -41.09 97.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.475 -0.33 . . . . 2.02 111.165 -178.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' HG12 ' A' ' 71' ' ' VAL . 51.7 mt -69.75 -41.64 79.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.81 110.34 175.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.563 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 1.7 tm? -65.14 -22.47 66.93 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.594 0.712 . . . . 1.71 109.672 178.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 35.4 mtpt -75.38 -12.1 60.19 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.542 -1.208 . . . . 2.22 111.126 175.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 17.3 t60 -100.35 -56.33 2.38 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.497 -0.927 . . . . 1.76 108.497 177.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.621 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.0 p -66.39 -46.9 85.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.821 0 CA-C-N 114.114 -1.403 . . . . 1.46 112.331 -171.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.624 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -98.37 -10.85 8.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.847 -0.741 . . . . 0.8 109.95 176.494 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.83 164.45 31.69 Favored Glycine 0 N--CA 1.441 -0.997 0 CA-C-N 114.991 -1.004 . . . . 0.55 111.994 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -64.19 -27.43 69.06 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.415 -0.587 . . . . 2.31 109.415 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 36.0 tt0 -47.02 -65.45 0.56 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.138 -0.937 . . . . 2.0 112.55 174.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.624 ' HB2' HG13 ' A' ' 72' ' ' VAL . 32.2 mmmt -78.99 -32.11 45.11 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 120.922 -0.311 . . . . 1.43 110.934 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.28 77.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.063 0.459 . . . . 0.7 110.151 176.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.97 88.17 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 115.808 -0.633 . . . . 0.73 110.46 176.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.9 mt-10 -79.45 -28.64 41.63 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.787 -0.642 . . . . 1.33 111.037 -177.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 47.5 mt -76.12 -31.33 58.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.073 0.463 . . . . 0.98 110.724 175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -63.55 -53.38 52.66 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.141 -0.688 . . . . 2.12 109.141 175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -65.96 -41.64 90.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.12 -0.491 . . . . 1.54 109.924 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.36 -45.2 65.63 Favored 'General case' 0 N--CA 1.446 -0.658 0 C-N-CA 120.76 -0.376 . . . . 1.37 110.61 178.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -61.44 -55.54 30.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.467 -0.333 . . . . 2.27 110.644 -178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.74 -23.81 66.82 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 112.103 0.408 . . . . 2.52 112.103 -178.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 19.6 t -82.98 -6.74 59.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.867 0.365 . . . . 1.52 110.796 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 104.66 18.34 13.01 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.587 -0.816 . . . . 0.92 113.138 171.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.59 123.68 18.57 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 107.48 -1.304 . . . . 0.83 107.48 168.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.2 m -62.8 171.12 2.25 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 114.51 -1.223 . . . . 1.6 111.096 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.456 ' HG3' HG12 ' A' ' 126' ' ' VAL . 41.9 tptt -61.6 -31.38 71.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.066 0.46 . . . . 2.96 109.994 -179.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 45.3 mm-40 -68.29 -43.65 77.23 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.905 -0.589 . . . . 2.34 111.747 177.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.666 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 16.2 mm-40 -56.68 -39.39 73.72 Favored 'General case' 0 C--O 1.216 -0.661 0 C-N-CA 123.527 0.731 . . . . 1.45 110.859 176.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.702 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -71.55 -36.5 70.98 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 107.904 -1.147 . . . . 1.08 107.904 174.481 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -73.69 -32.42 63.94 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 119.068 0.849 . . . . 2.06 110.457 -172.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.09 -54.02 4.12 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.385 -0.825 . . . . 0.93 111.756 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.666 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 1.3 tmtm? -47.39 -46.56 26.13 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 121.536 0.684 . . . . 3.11 111.002 177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.702 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -49.16 -39.99 13.01 Favored 'Isoleucine or valine' 0 C--N 1.344 0.344 0 CA-C-N 114.694 -1.139 . . . . 0.97 112.161 177.079 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -70.46 -33.06 70.85 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.763 -0.199 . . . . 2.03 111.17 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -63.95 -43.15 96.68 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.19 0.519 . . . . 2.48 109.647 176.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -73.79 -43.3 59.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.657 -0.701 . . . . 0.63 111.184 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 97' ' ' VAL . 2.0 mm? -67.26 -15.63 63.81 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 122.691 0.396 . . . . 1.4 111.873 178.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -89.57 -46.85 8.37 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.114 -0.699 . . . . 2.48 109.114 171.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.25 -4.84 4.08 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 113.753 1.02 . . . . 0.64 113.753 -171.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG13 ' H ' ' A' ' 105' ' ' THR . 0.3 OUTLIER -74.1 -72.08 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 CA-C-N 118.19 0.45 . . . . 1.68 111.84 -176.653 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.556 ' H ' HG13 ' A' ' 104' ' ' VAL . 29.1 p 70.46 9.34 6.91 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.529 0.937 . . . . 1.03 113.529 170.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 109' ' ' LYS . 32.0 m-20 -86.88 139.03 31.05 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 121.874 -0.516 . . . . 2.07 110.08 171.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.417 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 12.6 pt-20 -57.52 -58.06 9.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.872 1.064 . . . . 3.18 113.872 -164.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' GLN . 5.0 tp10 -59.31 -37.44 77.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.33 0.586 . . . . 2.78 110.291 -178.058 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.516 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 88.2 mttt -64.28 -45.56 87.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.847 -0.615 . . . . 1.81 110.732 178.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.53 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 55.5 mtmt -68.72 -17.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.238 0.542 . . . . 1.14 112.094 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.454 ' HB2' ' O ' ' A' ' 108' ' ' GLU . 29.4 mm-40 -65.88 -38.29 88.38 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 1.69 109.716 170.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.443 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 31.9 m-85 -71.94 -32.13 67.01 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 110.095 -0.335 . . . . 0.92 110.095 176.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.423 HD11 HG11 ' A' ' 104' ' ' VAL . 55.7 mt -63.22 -44.92 99.51 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 CA-C-N 116.397 -0.365 . . . . 0.72 110.923 176.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.94 -42.88 31.54 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.178 -0.464 . . . . 0.63 111.41 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -78.66 -54.5 6.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.481 0.658 . . . . 1.73 110.985 -173.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -100.42 -21.94 15.21 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 115.214 -0.903 . . . . 1.62 112.549 -173.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 121' ' ' LYS . . . -51.03 -61.47 6.14 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 114.667 0.627 . . . . 0.56 114.667 -173.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -50.02 -41.02 49.69 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 123.027 2.485 . . . . 0.65 113.473 -177.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.464 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -77.64 -33.38 53.59 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.881 0.372 . . . . 0.46 111.659 -178.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 41.5 t -57.44 -30.6 65.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.231 -0.441 . . . . 1.17 110.697 171.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 117' ' ' GLY . 13.5 mmmm -61.02 -50.84 71.72 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.351 -0.386 . . . . 1.47 111.272 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.666 ' HD2' HD22 ' A' ' 42' ' ' LEU . 18.5 ptpt -64.81 -27.26 68.76 Favored 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 109.329 -0.619 . . . . 1.5 109.329 176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 119' ' ' ALA . 53.4 mt -66.38 -47.57 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 122.792 1.282 . . . . 0.54 112.704 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 126' ' ' VAL . 7.2 m-85 -81.07 22.75 0.61 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 112.928 -1.942 . . . . 1.28 110.567 171.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.45 31.35 0.0 OUTLIER Glycine 0 N--CA 1.483 1.779 0 C-N-CA 128.475 2.94 . . . . 0.86 119.886 -149.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.515 ' N ' ' O ' ' A' ' 124' ' ' TYR . 6.3 m -44.39 90.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 C-N-CA 123.902 0.881 . . . . 1.53 111.917 169.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 45.7 t60 173.73 56.29 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.347 -0.983 . . . . 2.77 108.347 -173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 24.9 m 64.79 74.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.551 -0.75 . . . . 3.63 110.268 -174.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.21 -0.9 . . . . 5.56 110.561 -179.814 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.608 0 N-CA-C 111.767 -0.533 . . . . 12.2 111.767 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 11.1 p -130.68 83.49 61.65 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-O 120.676 0.274 . . . . 10.23 110.281 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -63.86 -65.47 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.502 2.135 . . . . 9.01 111.419 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 47.05 58.6 4.65 Favored 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.935 0.772 . . . . 8.29 111.716 175.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -70.52 117.81 12.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.721 -0.672 . . . . 5.37 110.679 -179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -100.41 0.95 40.81 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.835 -0.62 . . . . 5.61 109.588 177.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 64.67 37.82 7.42 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.992 -1.004 . . . . 3.83 109.731 -179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 60.28 90.12 0.06 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 114.711 -1.131 . . . . 1.22 111.778 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 7' ' ' SER . 19.7 p -127.0 155.42 43.23 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.355 -0.839 . . . . 0.96 111.259 -178.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.45 -46.77 88.7 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 112.85 0.685 . . . . 1.67 112.85 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.611 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -58.0 -39.9 79.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 118.534 -0.746 . . . . 1.8 109.188 171.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.482 ' HB2' ' OG1' ' A' ' 4' ' ' THR . 21.5 t -55.26 -19.69 9.05 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 119.807 1.185 . . . . 1.14 112.777 -178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HB3' ' HB2' ' A' ' 12' ' ' HIS . 24.4 m -98.38 -18.69 18.16 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 114.413 1.264 . . . . 1.02 114.413 -177.215 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.611 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 63.4 mt -53.67 -33.14 54.32 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 117.088 2.255 . . . . 1.04 117.088 -162.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -103.17 2.79 34.99 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.979 -1.009 . . . . 1.32 110.967 177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.551 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 18.2 p -123.52 -98.71 0.43 Allowed 'General case' 0 C--N 1.316 -0.879 0 CA-C-O 121.271 0.558 . . . . 0.69 111.726 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 69.2 m-70 -61.15 -37.16 81.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.516 -0.766 . . . . 1.5 111.861 -177.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 16' ' ' LEU . 64.8 mt -108.96 23.05 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.861 0.689 . . . . 1.13 112.861 -171.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' THR . 60.1 pttt -74.49 -12.96 60.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.251 -0.886 . . . . 1.69 111.945 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 62.4 p-90 -76.57 -7.71 55.75 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.892 -0.595 . . . . 0.35 110.154 177.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 13' ' ' LEU . 84.8 mt -75.65 147.27 39.62 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.769 -0.826 . . . . 0.31 108.769 173.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.2 t -81.17 158.81 24.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.439 -1.255 . . . . 1.24 109.045 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -53.93 -47.39 71.3 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 118.352 0.523 . . . . 1.91 110.143 -178.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.23 -34.61 72.4 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 116.392 -0.367 . . . . 2.49 110.423 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.762 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.0 mt-30 -72.06 -48.29 45.31 Favored 'General case' 0 C--O 1.221 -0.405 0 N-CA-C 109.109 -0.7 . . . . 1.57 109.109 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 25' ' ' LEU . 99.1 mttt -54.36 -51.63 64.18 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.216 0.531 . . . . 0.95 109.741 178.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -62.55 -29.33 70.49 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.44 -0.8 . . . . 0.67 111.242 178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -65.44 -50.18 66.39 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 122.318 -0.239 . . . . 1.43 111.353 170.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.762 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -58.11 -53.72 55.03 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 122.889 0.476 . . . . 1.33 110.693 178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 21' ' ' LYS . 11.3 mp -49.8 -41.64 45.08 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.948 -0.569 . . . . 1.06 112.082 174.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -62.36 -45.62 92.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.215 -0.448 . . . . 3.24 110.399 -179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 11.1 mtm -62.58 -51.11 68.63 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.679 -0.691 . . . . 0.92 112.4 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -57.83 -41.72 82.85 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.772 0.32 . . . . 2.44 111.67 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -74.84 -20.8 59.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.376 -0.375 . . . . 2.69 111.807 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -89.1 -4.49 58.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.152 0.977 . . . . 2.14 110.771 -178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 92.26 22.0 30.91 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.389 -1.278 . . . . 0.63 112.439 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -69.21 144.24 53.78 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.703 -0.851 . . . . 1.65 108.703 172.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.422 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -72.07 159.23 34.53 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.877 -0.601 . . . . 0.59 110.933 -176.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.3 mttp -58.57 -38.0 76.95 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.332 -0.618 . . . . 2.97 109.332 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -60.57 -20.24 59.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.968 -0.56 . . . . 2.82 111.407 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 29.0 mt-10 -91.08 -27.44 18.58 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 122.73 1.252 . . . . 0.85 110.894 -178.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.9 mt -73.91 -40.79 62.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 112.547 -2.115 . . . . 1.22 109.783 171.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.568 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 8.4 tp10 -66.0 -16.23 63.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.142 -0.936 . . . . 2.72 109.752 175.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.4 -43.29 10.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.593 -0.73 . . . . 0.49 112.77 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 17.2 tppt? -57.66 -49.89 74.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.015 -0.993 . . . . 1.34 111.216 176.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.275 -0.42 . . . . 0.39 111.08 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 38.2 mt -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.912 0.387 . . . . 0.45 111.953 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -67.63 -49.2 64.12 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 1.23 109.628 174.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.546 ' HE2' HD21 ' A' ' 24' ' ' LEU . 18.0 m-85 -56.28 -44.96 80.29 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.893 0.854 . . . . 0.68 110.355 174.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.412 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 63.8 t80 -58.72 -46.35 87.54 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 113.987 -1.461 . . . . 0.58 112.113 -176.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -74.62 -19.3 60.35 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.496 -0.482 . . . . 1.2 111.962 -172.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -99.39 14.33 30.08 Favored 'General case' 0 CA--C 1.534 0.334 0 O-C-N 122.028 -0.42 . . . . 2.22 111.358 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.489 ' HB2' ' HG2' ' A' ' 53' ' ' LYS . 35.0 mt -67.54 -164.54 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 121.771 0.796 . . . . 1.11 112.972 -177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 57.5 mm-40 -126.61 -175.11 3.3 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.655 -1.157 . . . . 2.83 109.176 -173.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -53.33 -77.66 0.14 Allowed Glycine 0 CA--C 1.524 0.633 0 C-N-CA 121.416 -0.421 . . . . 0.74 113.946 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.09 -28.1 66.2 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 122.646 -0.326 . . . . 2.37 110.253 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.442 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -61.97 -44.96 95.65 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.568 -0.453 . . . . 0.43 109.953 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.657 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 5.2 mmtp -59.37 -56.69 18.9 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.593 -0.731 . . . . 1.62 110.039 178.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.6 OUTLIER -53.87 -46.89 71.45 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.664 -0.698 . . . . 2.49 110.85 -179.263 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -68.03 -46.42 71.23 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 116.672 -0.24 . . . . 2.27 111.161 -178.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.537 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.03 -50.94 71.76 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 119.861 -0.736 . . . . 0.37 109.57 177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 63.7 m -52.23 -45.16 65.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.413 0.625 . . . . 0.51 112.309 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 50.0 mm-40 -64.74 -32.15 73.7 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 114.808 -1.087 . . . . 1.71 111.369 177.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.493 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 54.4 m-70 -72.18 -51.71 19.95 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.559 -0.534 . . . . 0.77 109.559 178.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.551 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.1 mp -55.99 -32.53 64.02 Favored 'General case' 0 N--CA 1.441 -0.917 0 CA-C-N 115.278 -0.874 . . . . 0.62 111.584 173.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -65.07 -51.92 58.67 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 121.177 -0.209 . . . . 0.67 110.553 176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.62 -37.2 74.77 Favored Glycine 0 C--N 1.333 0.395 0 C-N-CA 121.183 -0.532 . . . . 0.59 111.773 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.58 -46.08 95.1 Favored Glycine 0 C--N 1.331 0.296 0 N-CA-C 111.397 -0.681 . . . . 0.5 111.397 172.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.401 ' SG ' ' HB3' ' A' ' 68' ' ' LEU . 53.5 t -63.59 -29.08 70.38 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.344 0.593 . . . . 1.13 110.514 176.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' O ' ' HE2' ' A' ' 69' ' ' LYS . 33.3 ttm180 -70.6 -22.67 62.52 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.678 -0.692 . . . . 3.8 110.341 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 25.2 mt-10 -91.18 -39.43 12.13 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.158 -0.312 . . . . 2.02 110.158 175.308 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.78 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.9 mt -82.73 -73.15 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.514 -0.43 0 C-N-CA 120.528 -0.469 . . . . 0.81 111.864 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.569 HD22 ' SG ' ' A' ' 120' ' ' CYS . 13.9 tp -67.13 -48.32 68.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 O-C-N 123.496 0.497 . . . . 1.71 111.01 -168.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' HA ' ' CB ' ' A' ' 77' ' ' ALA . 33.1 ttpt -47.2 -76.39 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.685 0 O-C-N 123.982 0.801 . . . . 2.22 109.441 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 0.8 OUTLIER -37.35 -34.57 0.09 Allowed 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 115.094 1.516 . . . . 1.76 115.094 166.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.78 ' HB ' ' O ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.17 -37.63 52.93 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.42 0.526 . . . . 1.46 112.42 -170.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.443 ' HB ' HD13 ' A' ' 101' ' ' LEU . 7.0 p -82.26 -28.49 9.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 107.186 -1.413 . . . . 0.8 107.186 160.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.33 162.95 12.44 Favored Glycine 0 N--CA 1.443 -0.857 0 C-N-CA 120.583 -0.818 . . . . 0.55 111.858 178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -67.4 -10.51 51.97 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 120.343 0.116 . . . . 2.31 111.089 -178.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 0.7 OUTLIER -71.36 -68.67 0.43 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.05 0.452 . . . . 2.0 111.495 175.375 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.766 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 0.6 OUTLIER -66.3 -51.16 60.12 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.814 -0.63 . . . . 1.43 112.133 -167.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 69' ' ' LYS . . . -64.58 -22.14 66.89 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.253 -0.431 . . . . 0.7 111.033 -176.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.96 70.39 Favored 'General case' 0 N--CA 1.45 -0.444 0 N-CA-C 109.57 -0.53 . . . . 0.73 109.57 175.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 18.1 mt-10 -71.65 -25.76 62.26 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.668 -0.697 . . . . 1.33 110.77 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 14.4 mt -83.55 -33.75 25.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.101 0.477 . . . . 0.98 109.862 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -66.07 -49.07 68.89 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 108.803 -0.814 . . . . 2.12 108.803 173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -64.76 -30.05 71.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.521 -0.763 . . . . 1.54 110.311 179.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 8.1 mt -59.56 -45.79 90.81 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.188 0.305 . . . . 1.37 110.231 177.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -61.21 -50.2 74.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.293 -0.412 . . . . 2.27 110.709 -177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -67.72 -27.26 66.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.023 0.379 . . . . 2.52 112.023 -179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 13.2 t -78.02 -13.82 59.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.064 0.459 . . . . 1.52 110.153 179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.77 16.42 10.82 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.44 -0.886 . . . . 0.92 112.661 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.739 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -62.84 137.05 58.16 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.863 0.84 . . . . 0.83 108.736 173.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.3 m -68.06 162.17 25.17 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.15 -1.387 . . . . 1.6 110.355 175.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.66 -34.86 60.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.997 0.427 . . . . 2.96 110.543 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -64.45 -35.73 81.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.516 -0.766 . . . . 2.34 112.61 178.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.748 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 5.9 mm-40 -68.7 -32.24 71.91 Favored 'General case' 0 C--O 1.218 -0.559 0 N-CA-C 109.786 -0.45 . . . . 1.45 109.786 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 97' ' ' VAL . 4.6 mp -72.28 -45.31 60.62 Favored 'General case' 0 C--O 1.216 -0.704 0 N-CA-C 106.709 -1.589 . . . . 1.08 106.709 165.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -69.99 -40.11 75.51 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 120.377 1.444 . . . . 2.06 111.295 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.15 -50.81 9.15 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 115.092 -0.958 . . . . 0.93 111.654 -178.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.3 mptp? -66.33 -19.16 65.73 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.382 0.512 . . . . 3.11 112.382 -175.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.674 HG22 HD13 ' A' ' 80' ' ' LEU . 5.0 t -69.25 -42.81 81.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.795 -0.639 . . . . 0.97 109.855 176.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.652 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 37.3 mm-40 -63.53 -26.21 68.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 2.03 110.092 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -79.2 -39.2 33.9 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.652 -0.704 . . . . 2.48 110.778 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 76' ' ' LYS . . . -73.55 -50.99 18.53 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.012 -0.54 . . . . 0.63 110.7 -179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.443 HD13 ' HB ' ' A' ' 72' ' ' VAL . 3.3 mm? -72.25 -2.92 20.73 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 1.4 111.078 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.652 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 45.4 t-80 -76.76 -44.56 32.5 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 107.896 -1.15 . . . . 2.48 107.896 168.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.02 -7.14 7.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 114.801 -1.091 . . . . 0.64 113.698 -169.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.528 HG11 ' CD1' ' A' ' 113' ' ' ILE . 2.5 p -85.28 146.16 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.253 0 CA-C-O 121.198 0.523 . . . . 1.68 110.958 -176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 12.2 p -140.63 0.86 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.446 -0.797 . . . . 1.03 113.07 -174.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.465 ' HB3' ' HD3' ' A' ' 109' ' ' LYS . 9.6 t70 -81.74 124.66 29.81 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 121.818 -0.551 . . . . 2.07 110.859 173.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 111' ' ' GLN . 9.6 pt-20 -51.95 -54.93 23.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.836 -1.075 . . . . 3.18 113.412 -166.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.441 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 20.8 mm-40 -58.62 -42.42 88.16 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.405 0.44 . . . . 2.78 110.925 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.565 ' HE3' ' O ' ' A' ' 71' ' ' VAL . 44.1 mtpt -60.87 -35.79 77.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.961 0.41 . . . . 1.81 111.173 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -83.55 -15.3 49.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.115 0.483 . . . . 1.14 111.393 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 107' ' ' GLU . 29.0 mm-40 -69.75 -39.84 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.558 -0.746 . . . . 1.69 109.994 169.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.442 ' HB2' HG21 ' A' ' 71' ' ' VAL . 29.0 m-85 -65.88 -35.61 81.12 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 115.947 -0.57 . . . . 0.92 109.509 176.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.528 ' CD1' HG11 ' A' ' 104' ' ' VAL . 62.8 mt -64.16 -35.09 72.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.846 -0.616 . . . . 0.72 112.177 177.084 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.45 -44.37 21.48 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 122.206 -0.309 . . . . 0.63 110.712 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -75.82 -57.22 4.01 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.406 0.622 . . . . 1.73 111.543 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -99.14 -24.03 15.02 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-N 115.116 -0.947 . . . . 1.62 111.913 -170.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -51.55 -60.24 7.59 Favored Glycine 0 CA--C 1.532 1.095 0 N-CA-C 114.964 0.746 . . . . 0.56 114.964 -175.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -61.31 -23.88 77.74 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.663 2.242 . . . . 0.65 112.589 -176.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.53 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -88.39 -32.64 18.25 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.547 -0.751 . . . . 0.46 111.212 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.569 ' SG ' HD22 ' A' ' 68' ' ' LEU . 50.8 t -59.91 -28.41 67.57 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 1.17 110.424 170.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -52.81 64.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.47 111.915 177.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.4 OUTLIER -65.93 -27.29 68.06 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 109.103 -0.703 . . . . 1.5 109.103 175.559 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.551 HD13 ' HB3' ' A' ' 60' ' ' LEU . 62.6 mt -64.61 -47.91 87.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 123.021 1.391 . . . . 0.54 112.533 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.516 ' O ' ' N ' ' A' ' 126' ' ' VAL . 2.3 m-85 -81.54 24.55 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.302 -2.226 . . . . 1.28 111.087 171.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.51 32.75 0.0 OUTLIER Glycine 0 N--CA 1.481 1.659 0 C-N-CA 128.298 2.856 . . . . 0.86 119.712 -150.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.516 ' N ' ' O ' ' A' ' 124' ' ' TYR . 31.0 m -49.29 -31.59 5.17 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-O 121.179 0.514 . . . . 1.53 110.313 164.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -83.57 50.72 1.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 122.001 0.905 . . . . 2.77 109.708 176.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 5.7 m -154.47 48.48 0.6 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.442 -0.947 . . . . 3.63 108.442 176.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 C--O 1.251 1.159 0 CA-C-N 115.183 -0.917 . . . . 5.56 110.129 -177.115 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.772 0 N-CA-C 111.802 -0.519 . . . . 12.2 111.802 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 17.8 p -74.6 119.32 76.07 Favored Pre-proline 0 N--CA 1.451 -0.393 0 CA-C-N 116.86 0.33 . . . . 10.23 110.279 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.35 72.75 2.23 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.05 2.5 . . . . 9.01 112.814 -177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -102.74 115.24 30.19 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.755 -0.657 . . . . 8.29 109.963 177.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -149.79 149.73 30.96 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.314 -0.403 . . . . 5.37 110.353 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.515 ' CE1' HG21 ' A' ' 4' ' ' THR . 30.7 t60 -119.38 40.89 3.24 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.089 -0.708 . . . . 5.61 109.089 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 10.5 t-160 -84.4 -46.3 11.84 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.694 -0.685 . . . . 3.83 110.642 -176.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 67' ' ' ILE . 21.7 m-85 -92.72 90.2 6.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.206 0.527 . . . . 1.22 110.981 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.515 HG21 ' CE1' ' A' ' 1' ' ' HIS . 7.5 p -135.32 146.84 48.85 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.119 -0.697 . . . . 0.96 109.119 175.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.99 -27.26 68.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.039 -0.528 . . . . 1.67 111.893 -172.53 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.567 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 41.5 mt-10 -59.12 -44.17 91.98 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.027 -0.731 . . . . 1.8 109.027 168.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.7 m -53.96 -22.01 9.33 Favored 'General case' 0 N--CA 1.466 0.367 0 N-CA-C 113.86 1.059 . . . . 1.14 113.86 -174.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' CB ' HD23 ' A' ' 13' ' ' LEU . 44.2 p -98.92 -14.63 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.279 1.214 . . . . 1.02 114.279 -175.415 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 55.4 mt -58.78 -27.57 65.12 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 116.304 1.965 . . . . 1.04 116.304 -160.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -106.56 3.1 26.65 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.935 -1.029 . . . . 1.32 111.347 176.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.2 p -124.01 -98.49 0.43 Allowed 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.294 0.569 . . . . 0.69 111.772 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -59.72 -42.62 93.51 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.495 -0.775 . . . . 1.5 111.514 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.434 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.8 mm? -106.52 25.07 11.61 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.838 0.828 . . . . 1.13 112.524 -171.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.575 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 18.3 ptmt -68.58 -21.38 64.52 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.504 -1.225 . . . . 1.69 111.965 -174.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 60.0 p-90 -76.02 -4.69 42.65 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.696 -0.684 . . . . 0.35 111.335 -177.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.416 HD11 HD12 ' A' ' 13' ' ' LEU . 84.7 mt -76.86 147.63 36.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.542 0.687 . . . . 0.31 109.269 172.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.8 t -77.9 161.21 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.639 -1.164 . . . . 1.24 109.207 176.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -54.55 -48.1 72.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 118.146 0.43 . . . . 1.91 109.846 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -57.0 -37.43 71.65 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.807 -0.633 . . . . 2.49 110.727 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.72 ' O ' HD23 ' A' ' 24' ' ' LEU . 50.8 mt-30 -72.35 -47.61 48.22 Favored 'General case' 0 C--O 1.221 -0.413 0 N-CA-C 109.786 -0.449 . . . . 1.57 109.786 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 99.9 mttt -55.91 -46.61 78.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.95 110.043 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -66.43 -31.52 72.32 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.326 -0.852 . . . . 0.67 111.305 177.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -63.35 -53.91 45.2 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 117.979 0.354 . . . . 1.43 111.342 170.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.72 HD23 ' O ' ' A' ' 20' ' ' GLN . 2.0 mm? -61.09 -41.98 97.66 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.759 0.424 . . . . 1.33 111.051 -177.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 59.5 mt -63.44 -36.42 83.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.409 -0.36 . . . . 1.06 110.723 178.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.1 tptt -62.41 -43.49 98.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.055 -0.52 . . . . 3.24 110.367 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 14.8 mtm -63.55 -53.98 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.977 -0.556 . . . . 0.92 112.021 176.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -58.33 -40.08 81.17 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.116 0.484 . . . . 2.44 111.535 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -80.22 -20.29 44.99 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.979 0.733 . . . . 2.69 112.979 -178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -87.47 2.39 50.75 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 122.142 0.972 . . . . 2.14 110.247 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.99 23.08 30.97 Favored Glycine 0 N--CA 1.443 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.63 112.427 173.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -70.93 149.97 46.19 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.916 -0.772 . . . . 1.65 108.916 172.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.542 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -75.36 150.6 38.37 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 115.729 -0.669 . . . . 0.59 110.271 -178.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -51.86 -33.77 37.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 2.97 110.655 176.183 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.484 ' N ' ' HG2' ' A' ' 34' ' ' LYS . 22.0 tptm -56.76 -26.85 58.35 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.862 -0.608 . . . . 2.82 111.366 177.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -88.41 -29.21 20.39 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.634 1.207 . . . . 0.85 110.871 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.2 mm? -70.41 -43.25 70.37 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 112.865 -1.971 . . . . 1.22 109.964 171.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.597 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 21.8 tt0 -60.85 -20.74 62.32 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-N 115.262 -0.881 . . . . 2.72 110.466 175.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.23 -43.27 11.11 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.06 0.763 . . . . 0.49 113.06 -173.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.532 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 1.6 tppm? -66.58 -42.17 87.4 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.117 -0.947 . . . . 1.34 109.905 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.452 HG13 HD11 ' A' ' 24' ' ' LEU . 96.9 mt -67.58 -43.77 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 CA-C-N 116.119 -0.491 . . . . 0.39 111.415 178.409 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -63.99 -34.71 78.61 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 120.735 0.303 . . . . 0.45 111.505 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 47' ' ' GLU . 12.3 t-160 -60.96 -51.67 68.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.077 -0.51 . . . . 1.23 109.995 173.488 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.532 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 21.5 m-85 -57.98 -49.0 78.33 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-O 121.596 0.712 . . . . 0.68 110.442 177.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' O ' ' HB2' ' A' ' 48' ' ' LEU . 51.5 t80 -56.73 -46.49 81.29 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.277 -1.329 . . . . 0.58 111.84 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -81.25 -10.66 59.56 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.898 0.38 . . . . 1.2 110.936 -174.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 43' ' ' HIS . 37.2 mt-10 -91.29 -9.29 45.6 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.832 -0.433 . . . . 2.22 109.832 173.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 45' ' ' TYR . 27.7 mt -76.51 156.37 32.99 Favored 'General case' 0 N--CA 1.435 -1.185 0 CA-C-O 121.72 0.771 . . . . 1.11 110.317 177.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 11.2 pt-20 -152.54 168.76 24.51 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-N 114.136 -1.393 . . . . 2.83 111.024 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 62.8 -147.79 50.01 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.893 -0.594 . . . . 0.74 113.265 176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -61.18 -35.53 77.38 Favored 'General case' 0 C--O 1.222 -0.391 0 C-N-CA 122.46 0.304 . . . . 2.37 110.81 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.63 -47.99 83.42 Favored 'General case' 0 CA--C 1.516 -0.354 0 CA-C-O 121.327 0.584 . . . . 0.43 110.102 -179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.498 ' HB2' ' CA ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -64.43 -49.47 71.36 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 114.962 -1.017 . . . . 1.62 108.602 -178.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -48.69 -50.63 32.46 Favored 'General case' 0 N--CA 1.439 -1.018 0 CA-C-N 115.101 -0.954 . . . . 2.49 111.363 174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -65.34 -48.12 74.11 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.42 -0.809 . . . . 2.27 110.925 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.66 -51.21 70.34 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 109.587 -0.523 . . . . 0.37 109.587 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.458 ' OG1' ' HD3' ' A' ' 53' ' ' LYS . 90.7 m -49.36 -46.72 47.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.523 -0.762 . . . . 0.51 112.594 177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -62.65 -31.9 72.85 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 114.718 -1.128 . . . . 1.71 111.632 177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -75.93 -48.19 22.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.892 0.377 . . . . 0.77 110.012 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mp -61.41 -32.76 72.72 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.961 -0.563 . . . . 0.62 111.67 174.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.403 ' HE3' ' O ' ' A' ' 123' ' ' ILE . 81.2 mttt -63.18 -52.3 62.89 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 110.017 -0.364 . . . . 0.67 110.017 176.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.49 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -58.86 -40.61 95.41 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 111.599 -0.6 . . . . 0.59 111.599 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 66' ' ' GLU . . . -60.91 -49.61 76.69 Favored Glycine 0 C--N 1.331 0.278 0 C-N-CA 121.52 -0.371 . . . . 0.5 112.606 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.7 t -69.07 -29.4 67.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.926 0.394 . . . . 1.13 110.264 178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 37.1 ttm180 -65.81 -34.63 78.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.224 -0.444 . . . . 3.8 109.929 175.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 26.1 mm-40 -59.94 -45.79 91.46 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-O 121.315 0.579 . . . . 2.02 109.509 172.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.478 HG12 ' CZ ' ' A' ' 3' ' ' PHE . 75.3 mt -58.44 -45.49 89.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.518 -0.765 . . . . 0.81 110.272 175.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.682 ' HA ' HG12 ' A' ' 71' ' ' VAL . 23.0 tp -63.78 -18.4 64.04 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.469 -0.787 . . . . 1.71 110.671 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.465 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 25.7 mmtp -80.95 -16.86 52.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.384 -0.825 . . . . 2.22 112.068 -173.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -103.73 -46.59 4.47 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-O 122.691 1.234 . . . . 1.76 107.841 175.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.682 HG12 ' HA ' ' A' ' 68' ' ' LEU . 0.9 OUTLIER -65.64 -43.5 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.262 0 CA-C-N 112.459 -2.155 . . . . 1.46 111.855 -167.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -106.23 -5.56 10.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.673 0.749 . . . . 0.8 109.769 173.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 75.59 164.14 14.33 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 114.79 -1.095 . . . . 0.55 111.733 -177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -62.67 -27.27 69.12 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.373 -0.603 . . . . 2.31 109.373 175.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -45.0 -67.41 0.29 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.445 -0.798 . . . . 2.0 112.199 176.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.539 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.0 mmmt -78.01 -35.67 49.63 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.438 -0.346 . . . . 1.43 111.16 -171.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.3 -31.0 69.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.121 0.486 . . . . 0.7 109.97 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -66.55 -37.15 84.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.712 -0.677 . . . . 0.73 110.656 176.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 18.2 mt-10 -78.59 -28.46 45.77 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.989 -0.551 . . . . 1.33 110.674 -178.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.1 mt -78.97 -36.71 41.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.289 -0.414 . . . . 0.98 110.848 178.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -66.38 -46.77 75.54 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.267 -0.642 . . . . 2.12 109.267 177.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -65.66 -40.26 92.24 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.629 -0.508 . . . . 1.54 109.629 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -54.82 -45.84 74.46 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.937 -0.394 . . . . 1.37 109.937 178.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -57.42 -55.2 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.654 -0.703 . . . . 2.27 111.066 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -68.68 -19.25 64.37 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.928 0.344 . . . . 2.52 111.928 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 51.6 m -81.01 -11.35 59.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.876 0.369 . . . . 1.52 110.444 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 122.79 4.31 8.78 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.527 -0.844 . . . . 0.92 113.312 173.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -54.72 125.05 18.41 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-O 121.723 0.773 . . . . 0.83 110.034 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.7 t -70.12 164.66 23.66 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.301 -1.318 . . . . 1.6 109.586 176.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -55.25 -26.33 39.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.775 0.322 . . . . 2.96 110.954 178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -73.33 -37.99 65.94 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.248 -0.433 . . . . 2.34 111.625 -179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.747 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 4.8 mm-40 -66.68 -33.3 75.35 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 108.726 -0.842 . . . . 1.45 108.726 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.884 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 1.2 mm? -70.81 -44.14 67.17 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 170.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -65.63 -40.99 93.14 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 118.997 0.817 . . . . 2.06 110.855 -171.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.85 -53.21 4.6 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.104 -0.953 . . . . 0.93 112.177 -174.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.747 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 0.0 OUTLIER -66.79 -17.53 64.92 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 121.214 0.531 . . . . 3.11 112.318 -176.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.884 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -66.73 -33.57 64.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 N-CA-C 109.364 -0.606 . . . . 0.97 109.364 172.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.557 ' O ' ' HB2' ' A' ' 102' ' ' HIS . 51.9 mm-40 -77.81 -22.44 50.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.559 -0.746 . . . . 2.03 111.757 -173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 96' ' ' LYS . 8.0 pt-20 -80.67 -34.67 34.57 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.208 0.528 . . . . 2.48 109.597 176.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.467 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -68.94 -52.5 28.53 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.49 -0.777 . . . . 0.63 109.622 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 97' ' ' VAL . 10.0 mp -65.8 -4.68 7.04 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.617 -0.719 . . . . 1.4 112.698 174.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 16.8 t-80 -90.1 -50.02 6.24 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.907 -1.146 . . . . 2.48 107.907 172.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.5 -13.16 50.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.31 -0.859 . . . . 0.64 113.018 -169.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.611 HG13 ' H ' ' A' ' 105' ' ' THR . 0.9 OUTLIER -69.85 -68.22 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.086 0 N-CA-C 111.8 0.296 . . . . 1.68 111.8 -174.333 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.611 ' H ' HG13 ' A' ' 104' ' ' VAL . 31.4 p 68.57 10.9 8.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.763 0.825 . . . . 1.03 113.076 170.254 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.535 ' H ' HG22 ' A' ' 104' ' ' VAL . 9.8 t70 -83.87 129.05 34.94 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.767 -0.457 . . . . 2.07 109.767 169.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -54.68 -55.0 34.33 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.078 0.77 . . . . 3.18 113.078 -165.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.506 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 36.2 tt0 -61.76 -37.27 83.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.098 -0.501 . . . . 2.78 110.465 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 106' ' ' ASP . 98.3 mttt -64.33 -47.63 78.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.988 0.423 . . . . 1.81 110.696 175.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 50.1 mtmt -66.19 -12.73 57.88 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.632 0.729 . . . . 1.14 111.71 178.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.506 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 21.3 tp60 -68.9 -39.13 79.88 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.827 -1.079 . . . . 1.69 110.451 170.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.495 ' HB2' HG21 ' A' ' 71' ' ' VAL . 24.3 m-85 -71.04 -38.83 72.55 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 121.196 0.522 . . . . 0.92 109.713 178.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.475 HD11 HG11 ' A' ' 104' ' ' VAL . 48.0 mt -60.37 -38.27 77.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.627 -0.715 . . . . 0.72 111.115 179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.05 -39.56 23.3 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.291 -0.413 . . . . 0.63 110.867 175.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.443 ' OD2' ' HG3' ' A' ' 34' ' ' LYS . 12.6 t70 -72.14 -58.05 3.74 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.112 0.482 . . . . 1.73 110.944 -174.329 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.83 -21.32 16.39 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.534 -0.757 . . . . 1.62 111.998 -172.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.568 ' O ' ' HD3' ' A' ' 121' ' ' LYS . . . -45.12 -65.59 1.79 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 123.361 0.413 . . . . 0.56 114.065 -175.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.437 ' O ' ' HB2' ' A' ' 121' ' ' LYS . 67.4 Cg_exo -50.86 -52.83 8.25 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 122.936 2.424 . . . . 0.65 113.513 -177.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -71.29 -31.99 68.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.055 0.391 . . . . 0.46 112.055 -176.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 50.9 t -59.16 -30.36 68.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.298 -0.41 . . . . 1.17 110.493 174.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.568 ' HD3' ' O ' ' A' ' 117' ' ' GLY . 0.4 OUTLIER -63.83 -42.18 97.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.494 0.553 . . . . 1.47 112.494 -179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.1 OUTLIER -68.82 -32.22 71.78 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 108.834 -0.802 . . . . 1.5 108.834 173.415 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 119' ' ' ALA . 64.1 mt -66.1 -48.23 82.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 122.624 1.202 . . . . 0.54 112.191 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.527 ' C ' ' H ' ' A' ' 126' ' ' VAL . 5.3 m-85 -79.38 24.37 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 112.939 -1.937 . . . . 1.28 111.275 172.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.25 31.65 0.0 OUTLIER Glycine 0 N--CA 1.485 1.901 0 C-N-CA 127.558 2.504 . . . . 0.86 119.028 -145.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.527 ' H ' ' C ' ' A' ' 124' ' ' TYR . 28.0 m -60.0 -7.83 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 123.572 0.749 . . . . 1.53 111.771 168.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.41 ' HB2' ' HB3' ' A' ' 121' ' ' LYS . 31.5 t-80 -67.21 77.39 0.15 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 121.075 0.464 . . . . 2.77 110.915 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -124.87 144.24 50.42 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.108 -0.496 . . . . 3.63 110.126 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.478 -0.773 . . . . 5.56 110.378 -179.35 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.906 -0.478 . . . . 12.2 111.906 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 16.5 m -76.71 153.15 83.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 110.408 -0.219 . . . . 10.23 110.408 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -51.39 -60.21 0.88 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.384 2.056 . . . . 9.01 111.993 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 56.95 48.94 14.85 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.063 0.459 . . . . 8.29 111.748 178.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -112.94 -60.42 1.88 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.938 -0.574 . . . . 5.37 109.819 174.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 55.75 55.8 6.74 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.954 -0.566 . . . . 5.61 110.908 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.543 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 67.1 m170 -84.19 78.48 9.77 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.678 -0.692 . . . . 3.83 110.181 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CZ ' ' HA ' ' A' ' 67' ' ' ILE . 82.6 m-85 65.63 98.67 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.249 -0.887 . . . . 1.22 111.294 178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 p -127.28 154.04 45.4 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.609 -0.723 . . . . 0.96 110.259 -178.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD21 ' HB3' ' A' ' 24' ' ' LEU . 46.6 tp -61.06 -46.46 90.58 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 113.748 1.018 . . . . 1.67 113.748 -174.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.523 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 46.6 mt-10 -56.04 -43.24 77.65 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 109.138 -0.69 . . . . 1.8 109.138 170.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.3 t -57.14 -17.25 10.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 119.272 0.942 . . . . 1.14 112.295 -176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.448 ' CB ' HD23 ' A' ' 13' ' ' LEU . 14.0 m -99.13 -23.04 15.39 Favored 'General case' 0 C--O 1.224 -0.241 0 N-CA-C 114.227 1.195 . . . . 1.02 114.227 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.523 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 69.9 mt -56.25 -28.88 60.06 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 116.573 2.064 . . . . 1.04 116.573 -161.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -102.59 0.15 32.93 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.585 -1.189 . . . . 1.32 111.051 176.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.8 p -125.62 -97.61 0.42 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.11 0.411 . . . . 0.69 112.11 -178.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.501 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 19.2 m170 -58.93 -41.33 87.11 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.052 -0.522 . . . . 1.5 111.306 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.5 mm? -106.63 23.78 13.71 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.874 0.694 . . . . 1.13 112.874 -171.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 54.4 pttt -70.63 -17.8 62.87 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.216 -0.902 . . . . 1.69 112.28 -175.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -76.61 -3.83 39.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.35 111.224 -178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -76.38 146.5 38.68 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 121.689 0.757 . . . . 0.31 109.302 172.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 41.3 t -76.5 160.38 29.53 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.236 -1.347 . . . . 1.24 109.201 176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -56.4 -46.93 79.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 118.655 0.662 . . . . 1.91 109.603 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -58.22 -36.34 73.01 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 123.431 0.457 . . . . 2.49 110.86 178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.708 ' O ' HD23 ' A' ' 24' ' ' LEU . 96.9 mt-30 -71.82 -46.66 57.38 Favored 'General case' 0 C--O 1.218 -0.564 0 N-CA-C 109.554 -0.535 . . . . 1.57 109.554 178.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -55.48 -46.91 76.84 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.202 0.525 . . . . 0.95 109.964 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 25.4 t70 -67.52 -31.41 71.5 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.238 -0.892 . . . . 0.67 111.271 178.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -65.68 -51.1 62.09 Favored 'General case' 0 N--CA 1.439 -0.979 0 CA-C-N 117.942 0.337 . . . . 1.43 110.78 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD21 ' HE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -61.55 -46.29 90.55 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 122.768 0.427 . . . . 1.33 110.624 179.719 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 49.1 mt -59.07 -36.9 75.88 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.121 -0.491 . . . . 1.06 110.776 177.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 0.4 OUTLIER -62.28 -43.65 98.33 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.603 -0.726 . . . . 3.24 110.436 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 30.0 mtm -62.41 -52.66 62.7 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.773 -0.648 . . . . 0.92 112.602 177.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -62.0 -37.18 83.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.951 0.405 . . . . 2.44 110.504 -179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -63.48 -45.73 89.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.663 -0.699 . . . . 2.69 111.453 178.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.95 13.09 5.27 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.445 0.641 . . . . 2.14 112.442 -175.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 24.82 33.1 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.027 -0.988 . . . . 0.63 113.072 167.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.465 ' HD2' ' OE1' ' A' ' 36' ' ' GLU . 34.5 mmtp -72.79 155.46 39.92 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 121.394 0.616 . . . . 1.65 109.755 173.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.452 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -76.42 152.51 36.2 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 115.047 -0.979 . . . . 0.59 110.694 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -54.91 -33.99 62.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.157 0.503 . . . . 2.97 110.083 176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -63.07 -16.91 61.5 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.678 -0.692 . . . . 2.82 111.711 179.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE1' ' HD2' ' A' ' 32' ' ' LYS . 33.9 mt-10 -88.57 -26.9 21.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 122.527 1.156 . . . . 0.85 110.218 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.3 mm? -74.24 -43.68 56.06 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 112.882 -1.963 . . . . 1.22 110.12 171.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -63.15 -19.19 64.24 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.317 -0.856 . . . . 2.72 110.28 177.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.97 -41.34 11.8 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 113.028 0.751 . . . . 0.49 113.028 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HB2' ' HE1' ' A' ' 27' ' ' MET . 15.4 tppt? -67.67 -44.46 77.78 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.527 -0.76 . . . . 1.34 110.072 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.19 -45.23 99.23 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.39 110.863 178.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 19.1 mt -65.48 -32.83 74.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.852 0.358 . . . . 0.45 111.588 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -66.62 -50.33 63.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.027 -0.533 . . . . 1.23 110.056 175.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.711 ' HE2' HD21 ' A' ' 24' ' ' LEU . 16.5 m-30 -54.72 -45.13 74.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.572 0.701 . . . . 0.68 110.269 174.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.535 ' OH ' HG23 ' A' ' 57' ' ' THR . 17.3 t80 -57.3 -50.92 71.4 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 113.989 -1.459 . . . . 0.58 111.964 -177.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -72.28 -19.63 61.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.872 0.367 . . . . 1.2 111.203 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -89.34 13.83 12.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.793 0.33 . . . . 2.22 110.395 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -102.22 158.6 16.06 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.8 0.809 . . . . 1.11 110.947 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' CA ' ' HB2' ' A' ' 53' ' ' LYS . 6.9 pt-20 -149.7 173.27 13.88 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 114.254 -1.339 . . . . 2.83 110.698 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.15 -145.25 46.57 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.845 -0.616 . . . . 0.74 113.32 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -63.28 -33.2 74.99 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.567 -0.317 . . . . 2.37 110.465 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.1 -49.97 73.81 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.232 -0.587 . . . . 0.43 109.871 -177.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.435 ' HD3' ' HG1' ' A' ' 57' ' ' THR . 10.0 tmtt? -57.39 -54.05 51.16 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 115.126 -0.943 . . . . 1.62 109.795 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -52.68 -44.41 66.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.995 -0.548 . . . . 2.49 110.716 177.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -67.41 -48.04 68.5 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.778 -0.192 . . . . 2.27 110.85 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.513 ' O ' ' HG ' ' A' ' 60' ' ' LEU . . . -60.22 -49.28 78.26 Favored 'General case' 0 N--CA 1.445 -0.7 0 N-CA-C 109.344 -0.613 . . . . 0.37 109.344 -178.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.573 HG22 ' HE3' ' A' ' 61' ' ' LYS . 23.4 m -53.81 -49.05 69.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.505 -0.771 . . . . 0.51 112.264 179.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 61.9 mm-40 -61.62 -39.29 90.73 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 114.837 -1.074 . . . . 1.71 111.524 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -69.65 -35.55 75.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.77 110.209 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 56' ' ' ALA . 76.6 mt -71.35 -32.29 68.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.975 -0.557 . . . . 0.62 110.125 176.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HE3' HG22 ' A' ' 57' ' ' THR . 96.1 mttt -63.6 -55.69 21.72 Favored 'General case' 0 CA--C 1.513 -0.459 0 N-CA-C 109.616 -0.513 . . . . 0.67 109.616 175.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.515 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -57.78 -41.07 93.77 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 121.064 -0.589 . . . . 0.59 111.683 176.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.501 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -57.05 -52.3 52.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.192 -0.528 . . . . 0.5 112.751 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 50.5 t -73.4 -23.97 60.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.732 0.301 . . . . 1.13 110.581 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.418 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 22.0 tpp180 -60.27 -44.13 95.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.061 -0.718 . . . . 3.8 109.061 172.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 33.8 mm-40 -64.4 -33.94 77.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.69 -0.686 . . . . 2.02 110.378 176.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.628 ' O ' HG12 ' A' ' 71' ' ' VAL . 80.0 mt -67.23 -45.59 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.377 -0.374 . . . . 0.81 110.65 175.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.551 ' HA ' ' CG1' ' A' ' 71' ' ' VAL . 17.2 tp -64.77 -26.16 68.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.676 0.751 . . . . 1.71 109.692 177.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 65' ' ' ARG . 93.0 mttt -68.8 -13.53 62.46 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 113.95 -1.477 . . . . 2.22 111.12 173.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.593 ' CD2' ' HE2' ' A' ' 112' ' ' TYR . 12.8 t60 -102.16 -58.47 1.87 Allowed 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.793 0.806 . . . . 1.76 109.163 178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 67' ' ' ILE . 3.7 p -66.14 -49.35 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 114.129 -1.396 . . . . 1.46 112.5 -170.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.61 HG21 ' HG2' ' A' ' 76' ' ' LYS . 2.5 p -94.08 -41.05 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.792 0 C-N-CA 119.004 -1.078 . . . . 0.8 110.482 176.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.05 172.45 16.19 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.915 -0.659 . . . . 0.55 112.284 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.79 -46.37 82.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.693 0.256 . . . . 2.31 111.693 -178.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -39.14 -63.14 0.57 Allowed 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.735 0.647 . . . . 2.0 111.851 176.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.61 ' HG2' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -69.72 -47.93 61.34 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.365 -0.834 . . . . 1.43 111.318 -172.437 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.7 -30.97 70.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.904 0.383 . . . . 0.7 110.6 -178.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.15 -45.57 63.27 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 115.751 -0.659 . . . . 0.73 110.837 178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 76' ' ' LYS . 8.2 pt-20 -68.78 -23.55 64.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.462 -0.335 . . . . 1.33 110.615 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 80.9 mt -78.6 -35.97 44.98 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 0.98 111.019 176.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.12 -41.0 74.52 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.498 -0.556 . . . . 2.12 109.498 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -71.29 -31.0 66.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.817 -0.628 . . . . 1.54 110.002 176.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.461 HD22 ' HB2' ' A' ' 88' ' ' ALA . 2.3 mt -57.82 -53.03 62.84 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.641 -0.503 . . . . 1.37 109.641 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 93' ' ' LEU . 65.5 tttp -54.52 -43.77 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.65 -0.704 . . . . 2.27 110.404 177.007 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.58 -34.21 77.71 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.553 -0.749 . . . . 2.52 111.495 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 50.8 m -79.35 -12.39 59.92 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.063 0.458 . . . . 1.52 110.988 177.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.92 41.5 1.09 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.756 -0.735 . . . . 0.92 112.565 177.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.461 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -83.49 127.87 34.06 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.462 -0.94 . . . . 0.83 108.462 172.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 28.3 p -75.32 -179.44 4.5 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-N 113.946 -1.479 . . . . 1.6 110.449 177.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -57.99 -31.23 66.72 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.764 0.316 . . . . 2.96 110.706 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -83.25 -41.51 18.26 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.77 0.656 . . . . 2.34 112.77 -171.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.662 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 29.4 mm-40 -59.75 -38.16 81.01 Favored 'General case' 0 C--O 1.217 -0.655 0 CA-C-O 121.001 0.429 . . . . 1.45 110.393 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.547 ' O ' HG23 ' A' ' 97' ' ' VAL . 75.3 mt -71.34 -46.59 60.17 Favored 'General case' 0 C--N 1.313 -0.999 0 N-CA-C 107.531 -1.285 . . . . 1.08 107.531 169.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 88.0 tttt -66.79 -41.33 87.8 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 120.796 1.634 . . . . 2.06 111.209 -167.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.49 -47.12 11.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.671 -0.695 . . . . 0.93 111.726 -175.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.662 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 10.2 mmmm -64.14 -21.1 66.42 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.674 0.62 . . . . 3.11 112.674 -178.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 93' ' ' LEU . 24.8 t -72.24 -31.59 39.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-N 115.544 -0.753 . . . . 0.97 109.941 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.5 mm-40 -61.41 -35.08 76.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.354 -0.385 . . . . 2.03 110.121 178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -72.53 -37.42 68.31 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 109.476 -0.564 . . . . 2.48 109.476 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.563 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -59.97 -58.13 9.89 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.464 -0.789 . . . . 0.63 110.532 176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.02 -13.05 56.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.389 -0.823 . . . . 1.4 111.693 179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 98' ' ' GLU . 55.4 t-80 -88.61 -51.11 5.86 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.666 -0.864 . . . . 2.48 108.666 177.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.63 -0.89 1.56 Allowed 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 113.214 0.82 . . . . 0.64 113.214 -171.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG1' HD11 ' A' ' 113' ' ' ILE . 1.9 p -90.02 146.21 6.46 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.134 0 CA-C-O 120.972 0.415 . . . . 1.68 110.941 177.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 23.2 p -143.94 4.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 113.416 0.895 . . . . 1.03 113.416 -173.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.463 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 17.0 t70 -83.9 128.1 34.31 Favored 'General case' 0 C--N 1.321 -0.652 0 O-C-N 121.626 -0.671 . . . . 2.07 110.515 173.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -53.39 -52.58 58.85 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.823 1.045 . . . . 3.18 113.823 -166.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -54.72 -41.74 70.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.9 0.381 . . . . 2.78 110.576 178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.628 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 96.4 mttt -60.88 -45.89 92.77 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 121.046 0.45 . . . . 1.81 110.923 178.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 53.6 mtmt -73.39 -15.83 61.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.564 0.697 . . . . 1.14 112.034 -176.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -65.07 -40.04 94.11 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.691 -1.141 . . . . 1.69 109.866 168.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.593 ' HE2' ' CD2' ' A' ' 70' ' ' HIS . 24.3 m-85 -69.63 -34.26 73.8 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.076 0.465 . . . . 0.92 109.977 179.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.494 HD11 ' CG1' ' A' ' 104' ' ' VAL . 58.5 mt -56.67 -46.18 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.692 -0.685 . . . . 0.72 110.545 175.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.87 -44.45 61.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.783 -0.644 . . . . 0.63 110.519 -179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 76.0 m-20 -69.11 -61.59 1.73 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.476 -0.329 . . . . 1.73 111.335 -177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.73 -25.21 15.16 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.804 -0.635 . . . . 1.62 112.507 -169.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.63 -66.35 1.45 Allowed Glycine 0 CA--C 1.535 1.305 0 N-CA-C 114.996 0.758 . . . . 0.56 114.996 -172.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -59.87 -27.7 85.51 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.636 2.224 . . . . 0.65 112.598 -176.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.428 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.52 -32.82 25.7 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.955 -0.566 . . . . 0.46 111.235 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 91.0 m -56.62 -31.55 64.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.049 -0.523 . . . . 1.17 110.564 170.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.39 -53.79 53.17 Favored 'General case' 0 CA--C 1.535 0.381 0 N-CA-C 112.424 0.527 . . . . 1.47 112.424 178.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.594 ' HD2' HD22 ' A' ' 42' ' ' LEU . 7.6 ptpp? -64.29 -29.47 70.55 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.38 -0.528 . . . . 1.5 109.904 175.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.456 HD13 ' HB3' ' A' ' 60' ' ' LEU . 61.9 mt -67.1 -50.08 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.862 1.315 . . . . 0.54 112.632 -178.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.503 ' O ' ' N ' ' A' ' 126' ' ' VAL . 67.0 m-85 -74.32 24.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 112.764 -2.016 . . . . 1.28 110.663 170.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -13.76 33.04 0.0 OUTLIER Glycine 0 N--CA 1.476 1.366 0 C-N-CA 128.309 2.861 . . . . 0.86 119.932 -149.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.503 ' N ' ' O ' ' A' ' 124' ' ' TYR . 17.1 m -62.49 45.24 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.437 0.637 . . . . 1.53 111.088 164.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.435 ' CE1' ' HB3' ' A' ' 129' ' ' SER . 28.0 t-80 -82.0 141.31 33.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.936 -0.574 . . . . 2.77 110.07 -173.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -80.81 41.84 0.59 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-O 121.025 0.441 . . . . 3.63 111.004 -178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.435 ' HB3' ' CE1' ' A' ' 127' ' ' HIS . 15.7 t . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.581 -0.896 . . . . 5.56 108.581 -177.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.68 -0.568 . . . . 12.2 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . 0.45 ' HB3' ' CB ' ' A' ' 0' ' ' PHE . 37.7 m -150.64 85.8 5.17 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.861 0.33 . . . . 10.23 110.585 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -60.76 100.23 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.871 2.381 . . . . 9.01 112.644 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 54.26 52.63 12.24 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 115.507 -0.769 . . . . 8.29 110.963 178.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.45 ' CB ' ' HB3' ' A' ' -3' ' ' SER . 74.6 t80 -93.74 117.99 30.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.943 0.401 . . . . 5.37 111.085 -177.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 20.8 t-80 -130.57 12.73 5.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.383 0.611 . . . . 5.61 109.774 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.419 ' HB3' ' OH ' ' A' ' 112' ' ' TYR . 15.0 t60 71.82 140.46 0.05 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.028 -0.987 . . . . 3.83 109.988 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 60.22 54.59 3.96 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.127 0.489 . . . . 1.22 109.774 -170.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.9 p -82.94 166.53 18.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.992 -0.549 . . . . 0.96 110.366 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.727 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 8.7 mp -72.93 -29.97 63.53 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.532 -0.304 . . . . 1.67 111.639 -178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.489 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 2.1 mp0 -60.45 -49.82 76.04 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.177 -1.416 . . . . 1.8 107.177 167.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.7 t -54.07 -20.53 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 119.168 0.894 . . . . 1.14 112.316 -178.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.463 ' CB ' HD23 ' A' ' 13' ' ' LEU . 38.3 p -99.22 -19.1 17.29 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 115.13 1.529 . . . . 1.02 115.13 -177.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.727 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 72.3 mt -55.96 -30.04 61.11 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 116.863 2.172 . . . . 1.04 116.863 -162.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -103.91 1.57 31.48 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.902 -1.045 . . . . 1.32 110.943 176.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.3 p -123.71 -98.88 0.42 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.155 -0.475 . . . . 0.69 111.971 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.497 ' CE1' ' HA2' ' A' ' 63' ' ' GLY . 14.1 m170 -57.45 -41.72 81.1 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.635 -0.711 . . . . 1.5 111.51 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.5 HD12 HD11 ' A' ' 16' ' ' LEU . 3.5 mm? -108.64 25.19 12.01 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.752 0.787 . . . . 1.13 112.909 -170.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 22.1 pttp -75.44 -12.62 60.28 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-N 115.05 -0.977 . . . . 1.69 112.048 -175.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.415 ' HE1' HD11 ' A' ' 60' ' ' LEU . 56.6 p-90 -77.39 -8.32 57.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.894 -0.594 . . . . 0.35 110.397 176.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.5 HD11 HD12 ' A' ' 13' ' ' LEU . 90.8 mt -75.72 150.27 37.88 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 108.992 -0.744 . . . . 0.31 108.992 174.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.8 m -85.55 159.64 19.84 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.452 -1.249 . . . . 1.24 109.746 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -55.05 -46.12 75.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 117.881 0.31 . . . . 1.91 110.422 -176.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.58 -36.96 69.95 Favored 'General case' 0 N--CA 1.444 -0.75 0 O-C-N 123.533 0.521 . . . . 2.49 111.064 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.475 ' O ' HD13 ' A' ' 24' ' ' LEU . 93.8 mt-30 -74.33 -42.37 59.55 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.734 -0.469 . . . . 1.57 109.734 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.6 mttt -59.1 -48.98 79.61 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.115 0.483 . . . . 0.95 109.909 177.168 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.494 ' O ' ' HB2' ' A' ' 26' ' ' LYS . 38.8 t70 -65.74 -31.19 72.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.361 -0.836 . . . . 0.67 110.829 178.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -62.33 -55.1 31.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 118.035 0.379 . . . . 1.43 111.138 170.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.9 mp -65.13 -37.83 88.7 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 122.562 0.345 . . . . 1.33 111.924 -178.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.437 HD21 HD11 ' A' ' 9' ' ' LEU . 74.1 mt -63.37 -38.0 89.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.917 0.389 . . . . 1.06 110.152 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 3.8 tppt? -65.27 -45.68 83.56 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.616 -0.72 . . . . 3.24 109.509 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.433 ' SD ' ' HG3' ' A' ' 32' ' ' LYS . 9.5 mmm -58.1 -56.11 26.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.809 -1.087 . . . . 0.92 111.292 177.264 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -58.96 -39.62 82.23 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.08 -0.509 . . . . 2.44 110.978 -177.712 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -68.31 -42.68 79.07 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.462 0.541 . . . . 2.69 112.462 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.3 6.05 10.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.172 0.511 . . . . 2.14 112.142 -176.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 90.01 25.02 28.05 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.54 -0.838 . . . . 0.63 112.878 170.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' HG3' ' SD ' ' A' ' 27' ' ' MET . 34.8 mmtp -68.09 141.21 56.19 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 108.367 -0.975 . . . . 1.65 108.367 170.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.36 153.45 43.57 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 115.969 -0.56 . . . . 0.59 110.137 -177.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.15 -38.14 62.47 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.835 -0.431 . . . . 2.97 109.835 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -62.53 -17.4 59.77 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.844 0.683 . . . . 2.82 112.844 179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -88.2 -27.12 22.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 122.893 1.33 . . . . 0.85 110.233 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.1 mm? -76.21 -40.79 51.29 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 112.684 -2.053 . . . . 1.22 109.906 170.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.652 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 15.6 tt0 -55.47 -24.83 33.27 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 114.492 -1.231 . . . . 2.72 110.563 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.79 -38.1 14.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 114.044 1.127 . . . . 0.49 114.044 -173.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.413 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 70.5 mmtt -60.25 -54.24 48.09 Favored 'General case' 0 N--CA 1.442 -0.833 0 CA-C-N 116.248 -0.433 . . . . 1.34 110.061 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.1 mt -58.96 -42.49 86.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.86 -0.609 . . . . 0.39 111.857 -177.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 28.2 mt -68.11 -34.55 76.59 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.166 0.508 . . . . 0.45 111.622 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -66.43 -47.01 74.55 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.687 -0.688 . . . . 1.23 110.342 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.543 ' HE2' HD11 ' A' ' 24' ' ' LEU . 22.5 m-85 -61.47 -33.59 74.01 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.533 0.682 . . . . 0.68 110.317 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.22 -46.96 78.56 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.836 -1.074 . . . . 0.58 111.434 -178.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.68 -19.38 60.84 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.786 -0.366 . . . . 1.2 111.978 -173.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -88.83 3.56 50.73 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 121.868 -0.52 . . . . 2.22 111.276 -178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 74.3 mt -69.8 -159.72 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.554 0.692 . . . . 1.11 112.269 -178.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.567 ' HG3' ' HB3' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -150.81 -177.09 5.8 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.332 -0.849 . . . . 2.83 109.607 -172.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -40.5 -77.56 0.07 OUTLIER Glycine 0 N--CA 1.466 0.665 0 N-CA-C 115.022 0.769 . . . . 0.74 115.022 -172.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -72.64 -37.98 67.84 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.461 -0.435 . . . . 2.37 110.813 -176.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.567 ' HB3' ' HG3' ' A' ' 49' ' ' GLU . . . -58.16 -46.27 85.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.43 110.569 -177.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.411 ' HA ' HD13 ' A' ' 48' ' ' LEU . 73.4 tttt -70.08 -45.34 67.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.773 -0.649 . . . . 1.62 109.739 -178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.15 -46.86 65.61 Favored 'General case' 0 C--N 1.329 -0.323 0 O-C-N 123.497 0.498 . . . . 2.49 110.334 175.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -67.86 -48.81 65.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 116.194 -0.457 . . . . 2.27 110.468 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.53 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -60.21 -53.73 54.17 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.454 -0.498 . . . . 0.37 109.877 -178.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 44.1 m -48.66 -44.99 38.14 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.251 0.548 . . . . 0.51 112.072 179.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -70.59 -23.15 62.52 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.108 -0.951 . . . . 1.71 111.999 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -79.69 -47.27 15.62 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.665 -0.494 . . . . 0.77 109.665 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HB3' HD13 ' A' ' 123' ' ' ILE . 7.2 mp -60.17 -33.75 72.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 115.966 -0.561 . . . . 0.62 110.621 171.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -60.15 -55.29 35.6 Favored 'General case' 0 CA--C 1.515 -0.366 0 N-CA-C 110.033 -0.358 . . . . 0.67 110.033 175.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' O ' ' HB3' ' A' ' 65' ' ' ARG . . . -55.15 -38.07 65.85 Favored Glycine 0 C--N 1.332 0.351 0 C-N-CA 121.389 -0.434 . . . . 0.59 112.11 174.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.497 ' HA2' ' CE1' ' A' ' 12' ' ' HIS . . . -55.38 -55.36 28.88 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.945 -0.645 . . . . 0.5 111.869 173.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.0 m -63.87 -30.63 71.7 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.565 0.222 . . . . 1.13 111.128 177.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 20.4 ttm-85 -58.46 -47.94 82.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.168 0.509 . . . . 3.8 110.024 176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.36 -26.15 63.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.376 -0.829 . . . . 2.02 110.543 178.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.653 ' O ' HG12 ' A' ' 71' ' ' VAL . 87.4 mt -71.92 -47.93 53.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.366 -0.379 . . . . 0.81 110.554 174.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 72' ' ' VAL . 4.0 mm? -62.8 -28.71 70.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.219 0.533 . . . . 1.71 109.958 175.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -66.82 -14.22 62.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.97 -1.014 . . . . 2.22 110.389 175.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -100.43 -58.94 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.668 0.747 . . . . 1.76 109.565 176.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.653 HG12 ' O ' ' A' ' 67' ' ' ILE . 4.6 p -70.67 -45.05 75.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 114.488 -1.233 . . . . 1.46 112.513 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.665 HG13 ' HB2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -97.71 -10.61 8.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 121.547 0.689 . . . . 0.8 109.942 178.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 80.39 164.59 30.92 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.877 -1.056 . . . . 0.55 112.065 179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -60.42 -31.95 70.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.349 -0.611 . . . . 2.31 109.349 176.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -46.03 -67.43 0.28 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.033 -0.985 . . . . 2.0 112.441 176.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.665 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.6 mmmt -77.06 -34.83 57.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 116.467 -0.333 . . . . 1.43 111.685 -170.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.69 -31.43 72.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.004 0.431 . . . . 0.7 110.089 177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -65.02 -35.98 82.92 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.912 -0.585 . . . . 0.73 110.336 175.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.1 mt-10 -79.64 -29.28 40.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.929 -0.578 . . . . 1.33 110.521 -178.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD23 HD12 ' A' ' 83' ' ' LEU . 59.9 mt -78.68 -34.42 46.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.972 -0.558 . . . . 0.98 110.455 178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -62.24 -45.9 91.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 2.12 109.808 172.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -71.23 -20.0 62.3 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.899 -0.591 . . . . 1.54 110.317 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.519 HD12 HD23 ' A' ' 80' ' ' LEU . 11.1 mt -66.23 -56.65 10.24 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 109.298 -0.63 . . . . 1.37 109.298 175.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -54.25 -47.59 72.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.772 -0.649 . . . . 2.27 110.93 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -62.7 -38.38 90.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 2.52 112.237 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 40.2 m -81.48 -8.11 59.68 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.706 -0.398 . . . . 1.52 111.632 -178.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.85 19.03 9.41 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.46 -0.876 . . . . 0.92 112.934 173.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.481 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -63.17 133.59 54.59 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.369 -0.974 . . . . 0.83 108.369 171.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.6 t -76.99 167.78 21.23 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.315 -1.311 . . . . 1.6 109.141 176.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -63.0 -11.59 20.06 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 116.433 -0.348 . . . . 2.96 111.8 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 mp0 -82.56 -44.84 15.38 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.37 . . . . 2.34 110.736 177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.641 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 23.6 mm-40 -56.07 -41.11 74.62 Favored 'General case' 0 C--O 1.217 -0.624 0 C-N-CA 123.797 0.839 . . . . 1.45 109.874 172.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 97' ' ' VAL . 98.9 mt -69.5 -46.42 66.64 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 107.636 -1.246 . . . . 1.08 107.636 172.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -64.91 -34.84 79.35 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 120.384 1.447 . . . . 2.06 111.157 -169.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 -50.0 6.07 Favored 'General case' 0 C--N 1.313 -1.022 0 CA-C-N 115.678 -0.692 . . . . 0.93 112.755 -176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.641 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 8.8 mmmm -56.89 -27.22 60.36 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.105 0.78 . . . . 3.11 113.105 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 93' ' ' LEU . 53.5 t -69.63 -38.73 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 115.527 -0.76 . . . . 0.97 109.879 176.189 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.65 -38.52 81.63 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.083 -0.508 . . . . 2.03 110.34 176.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -66.59 -26.22 67.0 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.754 -0.378 . . . . 2.48 110.467 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.601 ' HB1' ' CG2' ' A' ' 72' ' ' VAL . . . -79.31 -55.77 4.83 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 120.815 0.34 . . . . 0.63 110.684 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' HG ' HG12 ' A' ' 113' ' ' ILE . 9.9 mp -63.77 -11.27 25.24 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.888 1.07 . . . . 1.4 113.888 178.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.1 m170 -89.36 -49.11 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.16 -1.052 . . . . 2.48 108.16 170.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.41 -5.53 7.86 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.705 0.631 . . . . 0.64 112.705 -174.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.61 HG11 ' CD1' ' A' ' 113' ' ' ILE . 7.3 p -78.22 144.44 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.047 0 CA-C-O 121.131 0.491 . . . . 1.68 110.163 179.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.459 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 18.8 p -140.21 3.0 1.94 Allowed 'General case' 0 C--N 1.317 -0.828 0 C-N-CA 119.804 -0.758 . . . . 1.03 112.615 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.496 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 12.9 t70 -81.29 114.47 20.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 2.07 110.366 169.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -59.1 -41.53 88.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.153 -0.931 . . . . 3.18 113.233 -165.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -59.94 -40.38 88.72 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.686 0.279 . . . . 2.78 110.721 177.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 62.7 mttp -60.49 -45.8 92.45 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.502 0.667 . . . . 1.81 110.285 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.459 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 5.3 mtpm? -71.65 -16.85 62.27 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.66 0.743 . . . . 1.14 111.984 -177.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 21.8 tp60 -65.35 -37.65 87.71 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 114.56 -1.2 . . . . 1.69 110.128 170.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.419 ' OH ' ' HB3' ' A' ' 2' ' ' HIS . 18.6 m-85 -71.83 -33.02 68.14 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.613 -0.514 . . . . 0.92 109.613 177.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.61 ' CD1' HG11 ' A' ' 104' ' ' VAL . 72.5 mt -61.69 -43.04 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.023 -0.535 . . . . 0.72 111.075 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.99 -43.75 61.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.453 -0.34 . . . . 0.63 110.41 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -75.3 -57.28 3.99 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.102 0.408 . . . . 1.73 112.102 -173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.542 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.2 OUTLIER -98.28 -23.47 15.63 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.342 -0.39 . . . . 1.62 111.872 -172.493 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -46.12 -65.09 2.2 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 114.779 0.672 . . . . 0.56 114.779 -172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.68 -40.57 72.01 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.605 2.203 . . . . 0.65 112.655 -176.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -70.95 -34.04 71.07 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.038 -0.528 . . . . 0.46 111.329 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.542 ' SG ' ' HD1' ' A' ' 116' ' ' PHE . 57.8 m -61.55 -27.57 68.71 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.325 -0.398 . . . . 1.17 111.033 171.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -72.14 -36.44 69.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.136 0.791 . . . . 1.47 113.136 -178.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.56 ' HD2' HD22 ' A' ' 42' ' ' LEU . 17.7 ptpt -70.49 -30.84 67.73 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 108.265 -1.013 . . . . 1.5 108.265 168.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.591 HD13 ' HB3' ' A' ' 60' ' ' LEU . 75.9 mt -66.64 -46.07 86.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 122.927 1.346 . . . . 0.54 112.829 -177.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.511 ' O ' ' N ' ' A' ' 126' ' ' VAL . 27.4 m-85 -82.4 24.44 0.69 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 112.78 -2.009 . . . . 1.28 110.719 171.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -15.04 31.35 0.0 OUTLIER Glycine 0 N--CA 1.482 1.73 0 C-N-CA 127.834 2.635 . . . . 0.86 119.222 -147.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 124' ' ' TYR . 16.3 m -47.27 -25.96 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 123.711 0.805 . . . . 1.53 111.713 169.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -64.96 -22.43 67.0 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.282 -0.417 . . . . 2.77 111.359 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 3.5 m 61.63 67.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.255 0.55 . . . . 3.63 110.063 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 43.9 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.547 -0.739 . . . . 5.56 111.019 -177.823 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.893 -0.483 . . . . 12.2 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 18.2 m -93.71 128.31 42.36 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-O 120.571 0.224 . . . . 10.23 110.425 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -79.99 17.12 1.36 Allowed 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.787 2.324 . . . . 9.01 112.871 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 62.9 -85.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.191 0 C-N-CA 123.292 0.637 . . . . 8.29 111.911 -178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -160.51 113.41 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.681 0.277 . . . . 5.37 110.485 -175.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 36.1 m80 -78.17 124.3 27.91 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.093 -0.706 . . . . 5.61 109.093 173.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -79.66 66.24 5.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.819 -0.628 . . . . 3.83 111.613 -170.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 58.36 87.16 0.07 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.396 -0.82 . . . . 1.22 111.684 174.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 28.5 p -124.76 154.62 40.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.706 -0.679 . . . . 0.96 110.38 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.15 -45.57 92.63 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 113.414 0.894 . . . . 1.67 113.414 -175.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.544 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 40.0 mt-10 -56.38 -46.21 80.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 118.317 -0.849 . . . . 1.8 109.568 170.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.9 p -65.51 -7.1 12.78 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 120.159 1.345 . . . . 1.14 113.013 -168.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.541 ' CB ' HD23 ' A' ' 13' ' ' LEU . 23.0 m -99.42 -20.39 16.49 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 114.157 1.169 . . . . 1.02 114.157 175.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' CD1' ' HA ' ' A' ' 6' ' ' GLU . 61.2 mt -57.47 -28.99 63.87 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 116.861 2.171 . . . . 1.04 116.861 -160.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -102.84 1.88 34.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.041 -1.436 . . . . 1.32 110.517 177.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -124.39 -98.39 0.42 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.043 0.449 . . . . 0.69 111.68 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.42 ' O ' ' HB3' ' A' ' 59' ' ' HIS . 86.6 m-70 -59.95 -38.6 82.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.658 -0.701 . . . . 1.5 111.627 -176.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.541 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.7 mm? -107.78 25.01 12.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.882 0.849 . . . . 1.13 112.261 -171.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 12.8 ptmm? -72.57 -18.08 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.801 -1.091 . . . . 1.69 111.92 -175.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 64.1 p-90 -76.04 -4.88 43.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.35 111.262 -179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.489 HD11 HD12 ' A' ' 13' ' ' LEU . 70.3 mt -79.39 151.9 30.68 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.563 0.697 . . . . 0.31 109.601 173.255 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 16.2 m -80.88 160.28 24.78 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.5 -1.227 . . . . 1.24 109.571 175.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.0 tm0? -54.36 -44.81 72.5 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.698 -0.482 . . . . 1.91 109.698 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.84 -39.44 81.28 Favored 'General case' 0 N--CA 1.426 -1.628 0 CA-C-N 115.758 -0.655 . . . . 2.49 110.04 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -69.12 -44.55 72.18 Favored 'General case' 0 C--O 1.223 -0.292 0 N-CA-C 109.406 -0.59 . . . . 1.57 109.406 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 97.5 mttt -61.56 -46.79 88.42 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.178 0.513 . . . . 0.95 110.305 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -66.01 -30.4 70.93 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.288 -0.869 . . . . 0.67 111.14 178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 27' ' ' MET . 2.1 tt0 -73.49 -46.07 50.18 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 117.642 0.201 . . . . 1.43 110.88 174.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.6 mt -65.52 -37.25 86.23 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 122.181 -0.324 . . . . 1.33 110.346 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 71.8 mt -62.89 -36.97 85.08 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.378 -0.374 . . . . 1.06 110.237 175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.17 -40.34 82.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.871 -0.788 . . . . 3.24 108.871 178.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.419 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 78.6 mtp -58.14 -55.38 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.016 -0.538 . . . . 0.92 111.623 175.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -57.63 -41.1 80.69 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.324 -0.398 . . . . 2.44 111.174 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -76.71 -19.28 57.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.985 -0.552 . . . . 2.69 112.479 -178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -93.24 -2.6 54.93 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.968 0.89 . . . . 2.14 110.634 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.55 24.65 25.45 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-N 114.847 -1.07 . . . . 0.63 112.851 172.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -67.09 141.29 57.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 108.489 -0.93 . . . . 1.65 108.489 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.589 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -71.35 154.79 41.32 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 116.309 -0.405 . . . . 0.59 110.481 -177.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.565 ' HD2' ' H ' ' A' ' 34' ' ' LYS . 11.9 mptt -55.33 -36.81 66.65 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.193 -0.669 . . . . 2.97 109.193 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -57.02 -24.61 54.99 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 115.826 -0.624 . . . . 2.82 111.751 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -91.51 -29.14 17.15 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-O 122.494 1.14 . . . . 0.85 111.477 -175.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ALA . 2.0 mm? -68.22 -44.02 76.69 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 112.994 -1.912 . . . . 1.22 109.437 168.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 5.2 tp10 -67.22 -15.37 63.66 Favored 'General case' 0 C--O 1.217 -0.649 0 CA-C-N 114.563 -1.199 . . . . 2.72 110.135 177.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.8 -42.32 10.17 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 113.026 0.75 . . . . 0.49 113.026 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -66.63 -44.9 80.76 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.167 -0.924 . . . . 1.34 110.324 -178.369 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.5 mt -71.08 -38.5 71.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.511 -0.768 . . . . 0.39 111.22 -177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 16.3 mt -62.54 -32.45 73.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.861 0.362 . . . . 0.45 111.395 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.496 ' O ' ' HG2' ' A' ' 47' ' ' GLU . 78.8 t60 -64.58 -50.37 67.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 1.23 110.064 173.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 40' ' ' LYS . 22.0 m-85 -61.69 -39.09 90.24 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 121.544 0.688 . . . . 0.68 110.011 -179.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -57.3 -47.54 81.23 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.183 -1.372 . . . . 0.58 110.966 176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.37 -17.84 60.12 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.278 0.473 . . . . 1.2 112.278 -176.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 43' ' ' HIS . 66.6 mm-40 -91.08 6.64 44.13 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 110.581 -0.155 . . . . 2.22 110.581 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 69.0 mt -72.02 -165.97 0.2 Allowed 'General case' 0 CA--C 1.534 0.327 0 CA-C-O 121.903 0.859 . . . . 1.11 113.143 -175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 53' ' ' LYS . 8.4 mm-40 -123.17 -176.61 3.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.38 -1.282 . . . . 2.83 109.072 -169.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.58 -69.31 1.18 Allowed Glycine 0 CA--C 1.52 0.398 0 C-N-CA 121.262 -0.494 . . . . 0.74 113.763 -176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -83.99 -25.61 29.85 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.073 -0.343 . . . . 2.37 110.073 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.421 ' HB3' ' H ' ' A' ' 49' ' ' GLU . . . -59.23 -47.21 86.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.265 0.555 . . . . 0.43 109.948 177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 11.7 tmtt? -66.47 -47.19 73.86 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.338 -0.846 . . . . 1.62 108.736 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -54.77 -46.87 74.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.773 -0.649 . . . . 2.49 110.951 176.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -67.29 -45.88 75.26 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.375 -0.375 . . . . 2.27 110.369 -178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -61.01 -49.81 75.91 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.073 -0.651 . . . . 0.37 109.84 177.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.596 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 46.7 m -52.65 -42.58 64.81 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.254 0.55 . . . . 0.51 112.251 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 54' ' ' LYS . 65.2 mm-40 -65.12 -31.42 72.61 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 114.941 -1.027 . . . . 1.71 111.262 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.42 ' HB3' ' O ' ' A' ' 12' ' ' HIS . 65.3 m-70 -76.08 -49.56 17.13 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.949 0.404 . . . . 0.77 109.935 179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.477 ' HB3' HD13 ' A' ' 123' ' ' ILE . 10.0 mp -57.33 -34.01 68.32 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.88 -0.6 . . . . 0.62 111.17 172.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.596 ' HB2' ' O ' ' A' ' 57' ' ' THR . 28.8 ttmt -69.71 -48.85 58.1 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.637 -0.505 . . . . 0.67 109.637 -178.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -59.67 -33.66 78.46 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.969 -0.634 . . . . 0.59 111.591 172.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.15 -44.06 97.73 Favored Glycine 0 N--CA 1.452 -0.297 0 N-CA-C 111.764 -0.534 . . . . 0.5 111.764 172.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.46 -33.21 75.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.508 0.67 . . . . 1.13 109.998 175.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' LYS . 74.9 ttt180 -64.93 -20.6 66.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.268 -0.878 . . . . 3.8 110.344 175.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' O ' ' HB3' ' A' ' 70' ' ' HIS . 17.2 mm-40 -89.75 -42.1 11.5 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.347 -0.388 . . . . 2.02 110.08 176.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.683 ' O ' ' HB ' ' A' ' 71' ' ' VAL . 85.6 mt -84.0 -71.88 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.383 0 CA-C-N 116.05 -0.523 . . . . 0.81 111.692 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.694 ' O ' HG12 ' A' ' 71' ' ' VAL . 15.0 tp -64.9 -49.59 69.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.112 -0.495 . . . . 1.71 111.122 -169.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' CB ' ' A' ' 77' ' ' ALA . 48.6 tttp -48.56 -77.56 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 119.843 -0.743 . . . . 2.22 109.478 179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' A' ' 66' ' ' GLU . 2.5 t60 -35.07 -36.8 0.06 Allowed 'General case' 0 CA--C 1.551 1.018 0 N-CA-C 115.637 1.718 . . . . 1.76 115.637 165.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.694 HG12 ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -70.91 -37.92 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.44 -0.788 . . . . 1.46 111.88 -174.428 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.786 HG21 ' HB1' ' A' ' 100' ' ' ALA . 6.3 p -87.11 -6.09 10.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.607 -0.886 . . . . 0.8 108.607 165.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.15 161.83 34.21 Favored Glycine 0 C--N 1.314 -0.681 0 C-N-CA 120.515 -0.85 . . . . 0.55 112.962 171.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -68.18 -14.67 63.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.629 -0.285 . . . . 2.31 111.564 -178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.517 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 28.6 tt0 -68.58 -70.02 0.29 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.182 0.515 . . . . 2.0 110.379 173.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.443 ' HB2' HG13 ' A' ' 72' ' ' VAL . 31.1 mmmt -64.78 -44.1 91.1 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.452 -0.795 . . . . 1.43 111.778 -168.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' CB ' ' HG3' ' A' ' 69' ' ' LYS . . . -65.61 -25.79 67.54 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.13 -0.486 . . . . 0.7 111.188 -178.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -70.84 -42.22 70.46 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.73 109.601 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 33.4 mt-10 -65.61 -33.91 77.01 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.177 -0.919 . . . . 1.33 110.354 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 HD13 HG23 ' A' ' 97' ' ' VAL . 51.8 mt -74.04 -42.19 60.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.826 -0.625 . . . . 0.98 110.98 177.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.35 -44.45 94.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.265 -0.642 . . . . 2.12 109.265 177.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -68.5 -36.92 79.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.976 -0.556 . . . . 1.54 109.72 178.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.13 -52.4 58.84 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.819 -0.437 . . . . 1.37 109.819 173.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.531 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 88.7 tttt -54.99 -56.14 23.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.655 -0.702 . . . . 2.27 111.155 179.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -63.69 -28.47 69.92 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 112.547 0.573 . . . . 2.52 112.547 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 34.3 p -83.35 -5.87 59.28 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.042 -0.663 . . . . 1.52 110.87 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 115.04 48.56 0.53 Allowed Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.934 -0.65 . . . . 0.92 112.47 174.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -92.48 127.9 38.14 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.533 0.682 . . . . 0.83 109.39 173.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.429 ' O ' HD23 ' A' ' 93' ' ' LEU . 22.6 p -69.22 166.14 19.01 Favored 'General case' 0 N--CA 1.442 -0.853 0 CA-C-N 114.666 -1.152 . . . . 1.6 110.563 176.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tmmm? -50.6 -37.22 38.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.335 0.588 . . . . 2.96 110.984 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -67.5 -33.57 75.36 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.481 -0.781 . . . . 2.34 112.791 -178.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.591 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 51.8 mm-40 -71.48 -31.89 67.63 Favored 'General case' 0 CA--C 1.508 -0.662 0 CA-C-O 121.722 0.772 . . . . 1.45 109.113 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.843 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 2.8 mm? -68.59 -48.46 64.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 106.568 -1.642 . . . . 1.08 106.568 168.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -69.62 -33.97 73.42 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 119.958 1.254 . . . . 2.06 110.633 -167.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.81 -52.52 4.83 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.548 -0.751 . . . . 0.93 112.75 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.29 -20.03 65.57 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.4 0.619 . . . . 3.11 110.799 -175.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.843 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -67.67 -36.21 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 CA-C-N 115.545 -0.752 . . . . 0.97 109.796 174.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -81.79 -16.1 52.07 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.783 -0.644 . . . . 2.03 110.94 -175.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -68.97 -43.65 74.51 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.674 -0.861 . . . . 2.48 108.674 169.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.786 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -70.43 -46.29 64.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.901 -1.045 . . . . 0.63 110.68 178.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 97' ' ' VAL . 84.4 mt -64.68 -16.57 63.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.182 -0.463 . . . . 1.4 111.89 179.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -85.24 -44.68 12.68 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.641 -0.504 . . . . 2.48 109.641 170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.97 -15.17 61.9 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 113.113 0.782 . . . . 0.64 113.113 -171.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.6 HG13 ' H ' ' A' ' 105' ' ' THR . 0.7 OUTLIER -66.79 -69.45 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 O-C-N 122.249 -0.282 . . . . 1.68 111.756 -173.084 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.6 ' H ' HG13 ' A' ' 104' ' ' VAL . 26.1 p 70.83 6.57 5.9 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.908 0.883 . . . . 1.03 113.1 169.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.479 ' H ' HG22 ' A' ' 104' ' ' VAL . 22.8 m-20 -84.13 132.38 34.7 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-O 120.84 0.352 . . . . 2.07 110.456 170.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.468 ' HG3' ' H ' ' A' ' 108' ' ' GLU . 8.8 pt-20 -56.6 -59.31 5.18 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.504 0.928 . . . . 3.18 113.504 -165.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.468 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 11.1 pt-20 -61.92 -36.33 81.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.671 0.272 . . . . 2.78 110.596 -178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -57.22 -48.09 79.68 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 121.047 0.451 . . . . 1.81 110.7 175.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 43.1 mtmt -75.34 -12.21 60.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.07 -0.514 . . . . 1.14 112.239 -177.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.53 -40.49 80.73 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.758 -0.83 . . . . 1.69 108.758 169.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.434 ' HB2' HG21 ' A' ' 71' ' ' VAL . 31.6 m-85 -69.45 -35.38 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.665 -0.698 . . . . 0.92 110.164 175.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.466 HD11 HG11 ' A' ' 104' ' ' VAL . 59.3 mt -65.63 -37.79 80.81 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.542 0 CA-C-N 116.408 -0.36 . . . . 0.72 111.652 178.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -76.1 -44.29 39.34 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.79 0.329 . . . . 0.63 111.024 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -74.57 -56.99 4.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.375 0.607 . . . . 1.73 111.254 -176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -99.96 -23.49 14.91 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 114.586 -1.188 . . . . 1.62 112.277 -169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -52.48 -60.87 7.27 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.09 0.796 . . . . 0.56 115.09 -174.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.17 -25.98 80.07 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.726 2.284 . . . . 0.65 112.67 -176.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.57 -31.28 21.29 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.863 -0.608 . . . . 0.46 111.005 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.492 ' SG ' HD22 ' A' ' 68' ' ' LEU . 44.1 t -60.19 -29.0 68.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.737 -0.665 . . . . 1.17 110.6 171.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -57.83 -53.59 56.47 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 116.508 -0.315 . . . . 1.47 110.982 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -66.37 -25.01 66.6 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 120.445 -0.502 . . . . 1.5 110.003 175.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 119' ' ' ALA . 45.8 mt -65.64 -48.31 83.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 122.704 1.24 . . . . 0.54 112.117 179.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.517 ' C ' ' H ' ' A' ' 126' ' ' VAL . 3.8 m-85 -74.64 21.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 113.0 -1.909 . . . . 1.28 110.838 170.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.29 30.74 0.0 OUTLIER Glycine 0 N--CA 1.482 1.76 0 C-N-CA 127.759 2.599 . . . . 0.86 119.526 -146.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.517 ' H ' ' C ' ' A' ' 124' ' ' TYR . 15.9 m -51.58 -35.86 17.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 122.766 0.426 . . . . 1.53 110.709 167.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 -84.1 89.34 7.26 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.314 -0.624 . . . . 2.77 109.314 176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 42.1 m -61.05 98.64 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.304 0.573 . . . . 3.63 109.923 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.207 -0.902 . . . . 5.56 110.542 -174.1 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 111.851 -0.5 . . . . 12.2 111.851 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 47.5 t 64.06 86.7 0.14 Allowed Pre-proline 0 C--O 1.234 0.247 0 C-N-CA 122.982 0.513 . . . . 10.23 110.889 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.97 -177.99 1.85 Allowed 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.721 2.281 . . . . 9.01 111.407 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -73.17 87.03 1.42 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.52 -0.548 . . . . 8.29 109.52 177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -80.52 141.78 34.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.576 -0.738 . . . . 5.37 111.375 -176.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.4 p80 -154.04 94.51 1.75 Allowed 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.115 -0.948 . . . . 5.61 108.598 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -59.67 -71.0 0.14 Allowed 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.094 -0.957 . . . . 3.83 110.686 -174.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -138.87 82.63 1.91 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.368 0.604 . . . . 1.22 110.531 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.3 p -111.19 149.5 30.86 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.072 -1.084 . . . . 0.96 108.072 176.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.7 tp -47.64 -52.91 16.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.324 0.861 . . . . 1.67 113.324 -176.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.703 ' HA ' HD23 ' A' ' 9' ' ' LEU . 35.6 tt0 -47.58 -35.5 9.23 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.88 -0.581 . . . . 1.8 110.732 174.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 74.4 m -57.59 -14.51 5.43 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 113.83 1.048 . . . . 1.14 113.83 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.419 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 29.8 p -98.54 -25.16 14.84 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 114.773 1.398 . . . . 1.02 114.773 -178.357 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.703 HD23 ' HA ' ' A' ' 6' ' ' GLU . 3.8 mm? -51.12 -33.06 24.8 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 117.703 2.483 . . . . 1.04 117.703 -163.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -101.99 1.22 36.38 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 114.851 -1.068 . . . . 1.32 111.266 176.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.453 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 17.3 p -125.33 -95.11 0.46 Allowed 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.283 0.563 . . . . 0.69 111.83 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.419 ' HB2' ' HB2' ' A' ' 8' ' ' SER . 23.7 m-70 -59.8 -37.87 80.36 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.268 -0.878 . . . . 1.5 111.63 -177.462 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.48 ' HB3' HD12 ' A' ' 16' ' ' LEU . 20.4 mt -109.64 23.44 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.348 0.87 . . . . 1.13 113.348 -173.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.555 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 60.2 pttt -69.45 -19.13 63.77 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 114.864 -1.062 . . . . 1.69 111.951 -175.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.8 p-90 -75.81 -7.36 54.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.874 -0.603 . . . . 0.35 110.752 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.48 HD12 ' HB3' ' A' ' 13' ' ' LEU . 85.2 mt -76.35 146.47 38.78 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.001 -0.74 . . . . 0.31 109.001 174.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -83.44 159.6 21.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 114.502 -1.226 . . . . 1.24 109.423 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -55.1 -45.66 75.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 117.869 0.304 . . . . 1.91 110.753 -175.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.565 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 51.0 mt-10 -56.68 -37.79 71.33 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.503 -0.317 . . . . 2.49 111.013 178.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.444 ' O ' HD13 ' A' ' 24' ' ' LEU . 37.3 mt-30 -72.3 -41.14 66.93 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.411 -0.589 . . . . 1.57 109.411 179.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 88.6 mttt -60.39 -51.62 68.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.848 0.356 . . . . 0.95 110.343 177.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.37 -31.82 73.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.833 -0.621 . . . . 0.67 110.628 179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.565 ' HB2' ' O ' ' A' ' 19' ' ' GLU . 4.6 tt0 -59.04 -55.24 37.66 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 122.558 0.343 . . . . 1.43 111.326 170.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.571 HD11 ' HE2' ' A' ' 44' ' ' TYR . 7.8 mp -66.28 -39.83 89.67 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 111.905 0.335 . . . . 1.33 111.905 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 89.9 mt -60.46 -38.71 85.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.985 0.421 . . . . 1.06 110.15 176.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.8 tppt? -64.63 -43.42 93.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.689 -0.687 . . . . 3.24 110.236 178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE1' ' O ' ' A' ' 36' ' ' GLU . 17.7 mtm -59.97 -52.7 64.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.918 -0.583 . . . . 0.92 112.101 177.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -58.78 -39.74 81.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.305 0.574 . . . . 2.44 110.975 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -67.33 -35.03 78.57 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.389 -0.823 . . . . 2.69 111.748 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -88.43 0.51 56.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.708 0.766 . . . . 2.14 111.346 -174.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 91.27 22.98 30.55 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.396 -0.907 . . . . 0.63 112.752 172.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -68.44 144.54 54.65 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 108.305 -0.998 . . . . 1.65 108.305 171.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.491 ' O ' HD23 ' A' ' 37' ' ' LEU . . . -70.95 149.5 46.63 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-N 116.142 -0.481 . . . . 0.59 110.361 -177.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 ttmt -53.03 -35.91 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 110.13 -0.322 . . . . 2.97 110.13 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.753 ' NZ ' ' HA ' ' A' ' 115' ' ' ASP . 61.4 mmtt -60.02 -17.44 38.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.283 -0.417 . . . . 2.82 112.018 178.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' O ' ' HE1' ' A' ' 27' ' ' MET . 28.1 mt-10 -90.92 -26.13 19.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 122.648 1.213 . . . . 0.85 111.008 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.7 mm? -72.21 -45.45 60.24 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-N 112.897 -1.956 . . . . 1.22 109.693 169.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.613 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 66.2 mt-10 -59.96 -20.83 59.69 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-N 115.066 -0.97 . . . . 2.72 110.347 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -90.14 -39.61 12.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 113.596 0.961 . . . . 0.49 113.596 -175.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 44' ' ' TYR . 46.0 mmtm -65.69 -50.94 63.06 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 109.832 -0.433 . . . . 1.34 109.832 175.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.1 mt -57.21 -43.79 82.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 116.295 -0.411 . . . . 0.39 111.524 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 27.1 mt -67.25 -32.85 74.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.074 0.464 . . . . 0.45 111.744 -179.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -68.8 -45.77 70.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 1.23 110.423 172.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.571 ' CE2' ' HB3' ' A' ' 40' ' ' LYS . 19.0 m-85 -64.33 -31.9 73.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.461 0.648 . . . . 0.68 109.983 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -63.98 -46.69 83.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.652 -1.158 . . . . 0.58 110.597 175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -74.76 -22.5 58.75 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.318 0.488 . . . . 1.2 112.318 -174.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.455 ' HG2' ' HA ' ' A' ' 44' ' ' TYR . 6.6 pt-20 -88.41 9.23 24.21 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 121.863 -0.523 . . . . 2.22 110.747 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 44' ' ' TYR . 61.4 mt -73.53 -162.99 0.14 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.396 0.617 . . . . 1.11 111.753 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.429 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 7.8 pt-20 -167.27 119.48 0.92 Allowed 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.547 -0.751 . . . . 2.83 112.084 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 49.21 -114.75 2.33 Favored Glycine 0 C--N 1.331 0.281 0 CA-C-N 115.789 -0.642 . . . . 0.74 114.235 172.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -69.17 -26.99 65.13 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.949 0.099 . . . . 2.37 111.217 -176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.11 -45.95 91.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 108.727 -0.842 . . . . 0.43 108.727 174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 24.1 tptm -64.01 -56.58 14.07 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 114.191 -1.368 . . . . 1.62 109.409 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -43.32 63.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.099 -0.955 . . . . 2.49 111.773 178.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -66.48 -49.92 65.01 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 119.477 -0.297 . . . . 2.27 110.911 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -59.77 -52.79 63.97 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.863 -0.735 . . . . 0.37 109.483 -178.001 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 86.5 m -46.8 -46.45 20.66 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.513 0.673 . . . . 0.51 112.339 177.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -63.99 -36.99 85.8 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 114.756 -1.111 . . . . 1.71 112.22 176.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -76.7 -43.35 37.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.94 0.4 . . . . 0.77 109.977 -175.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HB3' HD13 ' A' ' 123' ' ' ILE . 9.9 mp -60.62 -33.48 72.83 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 115.876 -0.602 . . . . 0.62 111.201 171.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 57' ' ' THR . 89.1 mttt -60.01 -56.69 18.62 Favored 'General case' 0 CA--C 1.513 -0.462 0 N-CA-C 109.799 -0.445 . . . . 0.67 109.799 174.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.609 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.34 -38.7 69.77 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.233 -0.508 . . . . 0.59 111.929 176.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -54.46 -59.09 10.66 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 121.346 -0.454 . . . . 0.5 113.176 175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 120' ' ' CYS . 31.6 p -73.36 -21.96 60.4 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.505 -0.478 . . . . 1.13 110.448 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.446 ' HB3' ' O ' ' A' ' 62' ' ' GLY . 54.4 ttp180 -56.71 -48.87 76.76 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.825 -0.435 . . . . 3.8 109.825 169.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 16.8 mm-40 -60.93 -34.63 74.99 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.974 -0.557 . . . . 2.02 109.994 176.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.638 ' O ' HG23 ' A' ' 71' ' ' VAL . 66.7 mt -68.28 -43.55 84.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 0.81 111.001 176.28 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.552 ' O ' HG22 ' A' ' 72' ' ' VAL . 15.2 tp -62.54 -27.9 69.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 1.71 109.657 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 66' ' ' GLU . 30.1 mtpp -65.5 -15.35 62.57 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.168 -1.378 . . . . 2.22 110.812 173.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 t60 -100.28 -53.56 3.09 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 109.36 -0.608 . . . . 1.76 109.36 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.674 ' O ' ' HD3' ' A' ' 109' ' ' LYS . 1.4 t -59.98 -60.82 1.95 Allowed 'Isoleucine or valine' 0 CA--C 1.519 -0.236 0 CA-C-N 114.954 -1.021 . . . . 1.46 111.757 -174.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 68' ' ' LEU . 11.9 m -90.54 -11.66 9.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.749 0.785 . . . . 0.8 110.071 -176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 84.43 161.6 33.35 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 114.728 -1.124 . . . . 0.55 111.772 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.65 -24.37 67.56 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.631 -0.507 . . . . 2.31 109.631 177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 46.6 mt-10 -50.52 -64.4 0.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.068 -0.969 . . . . 2.0 111.419 170.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.458 ' HB3' ' HB ' ' A' ' 72' ' ' VAL . 16.1 tppt? -76.65 -35.0 58.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.455 -0.793 . . . . 1.43 110.809 -174.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.94 -27.43 68.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.7 110.026 177.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.95 -37.54 69.94 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.955 -0.566 . . . . 0.73 110.155 175.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 27.2 mt-10 -72.6 -37.35 68.15 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.73 -0.668 . . . . 1.33 110.52 -179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 83' ' ' LEU . 1.1 mp -69.63 -36.77 76.42 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 115.623 -0.717 . . . . 0.98 111.721 172.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -65.5 -42.53 92.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.926 0.393 . . . . 2.12 109.983 177.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -74.28 -20.22 60.21 Favored 'General case' 0 CA--C 1.514 -0.433 0 CA-C-N 116.075 -0.512 . . . . 1.54 109.844 178.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.48 HD12 HD12 ' A' ' 80' ' ' LEU . 12.6 mt -68.07 -58.13 4.99 Favored 'General case' 0 N--CA 1.43 -1.434 0 N-CA-C 108.213 -1.032 . . . . 1.37 108.213 171.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -46.11 -59.46 2.86 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.933 -1.03 . . . . 2.27 111.42 175.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -62.75 -34.72 77.8 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.942 0.719 . . . . 2.52 112.942 -177.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 t -80.12 -7.32 58.85 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.252 -0.579 . . . . 1.52 111.218 -178.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 102.89 17.54 18.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.375 -0.917 . . . . 0.92 112.363 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -59.63 127.93 34.46 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 107.136 -1.431 . . . . 0.83 107.136 169.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.5 t -74.21 -179.49 3.9 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.757 -1.11 . . . . 1.6 110.248 -178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 90' ' ' LYS . 3.3 mppt? -58.78 -32.75 69.59 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.509 0.195 . . . . 2.96 111.065 -174.281 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.438 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 34.6 tt0 -76.26 -42.66 44.91 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.32 0.489 . . . . 2.34 112.32 -174.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.533 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 11.6 mm-40 -58.16 -39.78 79.73 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.57 0.748 . . . . 1.45 110.022 175.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.632 ' O ' HG23 ' A' ' 97' ' ' VAL . 82.9 mt -69.58 -46.26 66.74 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.175 -1.417 . . . . 1.08 107.175 170.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.697 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 27.6 tptp -58.5 -51.85 68.12 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 119.942 1.246 . . . . 2.06 110.912 -171.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -78.31 -47.51 17.62 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-N 115.366 -0.833 . . . . 0.93 112.273 -172.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.454 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 72.6 mmtt -57.57 -29.98 64.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.648 0.61 . . . . 3.11 112.648 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 93' ' ' LEU . 54.0 t -69.53 -45.47 78.19 Favored 'Isoleucine or valine' 0 C--N 1.339 0.147 0 CA-C-N 115.126 -0.943 . . . . 0.97 110.719 174.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.697 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 5.2 mm-40 -56.2 -32.16 64.13 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.001 0.429 . . . . 2.03 110.17 178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -66.04 -40.54 91.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.863 -0.608 . . . . 2.48 109.914 177.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.422 ' CB ' ' HG2' ' A' ' 76' ' ' LYS . . . -72.81 -35.87 67.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.293 -0.412 . . . . 0.63 110.811 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.415 HD22 HG12 ' A' ' 113' ' ' ILE . 92.8 mt -75.64 -16.26 60.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.547 . . . . 1.4 111.046 179.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 62.0 m170 -89.7 -50.0 6.32 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.328 -0.989 . . . . 2.48 108.328 172.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.8 -0.33 2.15 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.78 0.659 . . . . 0.64 112.78 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.638 HG11 HD11 ' A' ' 113' ' ' ILE . 9.7 p -87.21 144.98 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.1 0 CA-C-O 121.03 0.443 . . . . 1.68 110.366 176.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.522 ' HA ' ' HD2' ' A' ' 110' ' ' LYS . 5.9 p -144.28 10.18 1.47 Allowed 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 119.828 -0.749 . . . . 1.03 112.726 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -83.51 112.68 20.2 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 2.07 109.54 168.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.47 -42.29 64.08 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.92 1.082 . . . . 3.18 113.92 -165.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 111' ' ' GLN . 45.0 mt-10 -59.68 -41.79 91.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.693 -0.23 . . . . 2.78 110.818 178.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.674 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 99.6 mttt -56.88 -44.79 82.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.592 0.71 . . . . 1.81 110.458 175.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.522 ' HD2' ' HA ' ' A' ' 105' ' ' THR . 6.1 mtpm? -75.03 -14.05 60.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.328 -0.851 . . . . 1.14 112.071 -177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.436 ' HB3' ' O ' ' A' ' 108' ' ' GLU . 60.6 tp60 -68.23 -38.69 82.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.686 -1.143 . . . . 1.69 109.917 169.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -71.01 -32.35 69.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.86 -0.609 . . . . 0.92 110.039 177.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.638 HD11 HG11 ' A' ' 104' ' ' VAL . 46.0 mt -59.51 -45.41 93.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.72 110.519 174.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -72.39 -41.98 65.71 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.16 -0.473 . . . . 0.63 110.667 178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.753 ' HA ' ' NZ ' ' A' ' 35' ' ' LYS . 92.2 m-20 -67.73 -65.37 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.989 0.423 . . . . 1.73 111.615 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -97.2 -22.63 16.6 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.465 0.542 . . . . 1.62 112.465 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -43.8 -67.21 1.08 Allowed Glycine 0 CA--C 1.535 1.285 0 N-CA-C 114.427 0.531 . . . . 0.56 114.427 -176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -56.18 -47.3 25.16 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 122.828 2.352 . . . . 0.65 112.914 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 122' ' ' LYS . . . -72.07 -29.95 64.64 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.46 112.025 -177.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 1.298 ' SG ' ' SG ' ' A' ' 64' ' ' CYS . 42.6 t -67.08 -26.96 66.98 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.924 0.393 . . . . 1.17 110.079 174.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.47 -37.51 83.03 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 112.718 0.636 . . . . 1.47 112.718 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.479 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 0.7 OUTLIER -71.56 -32.74 68.42 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 108.541 -0.911 . . . . 1.5 108.541 169.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.625 HD13 ' HB3' ' A' ' 60' ' ' LEU . 82.5 mt -66.78 -46.84 84.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.529 1.157 . . . . 0.54 112.726 -176.838 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.519 ' C ' ' H ' ' A' ' 126' ' ' VAL . 4.2 m-85 -78.8 24.91 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 113.438 -1.71 . . . . 1.28 111.01 169.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -18.46 29.11 0.0 OUTLIER Glycine 0 N--CA 1.486 1.99 0 C-N-CA 128.475 2.941 . . . . 0.86 119.744 -147.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.545 HG21 ' HB2' ' A' ' 94' ' ' LYS . 2.6 p -48.64 -36.48 7.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.994 0 C-N-CA 123.603 0.761 . . . . 1.53 111.038 169.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -85.63 77.29 9.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.72 -0.474 . . . . 2.77 109.72 177.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.1 m -92.29 -36.84 12.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.337 0.589 . . . . 3.63 110.008 178.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.505 -0.76 . . . . 5.56 109.876 178.563 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.806 -0.518 . . . . 12.2 111.806 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 69.1 m 70.14 93.85 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.3 0 C-N-CA 122.976 0.51 . . . . 10.23 111.759 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -71.9 65.99 3.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 123.092 2.528 . . . . 9.01 111.255 173.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -82.03 116.97 21.87 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.827 -0.624 . . . . 8.29 111.489 -175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.69 -21.05 30.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.695 -0.854 . . . . 5.37 108.695 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -124.01 130.32 52.37 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.646 -1.161 . . . . 5.61 108.529 172.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -78.2 63.79 3.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.962 0.411 . . . . 3.83 111.292 -175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 51.31 57.6 6.43 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.189 -0.914 . . . . 1.22 110.967 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 39.3 p -87.31 169.18 12.52 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 120.655 0.265 . . . . 0.96 110.811 -177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.75 ' O ' ' HG ' ' A' ' 9' ' ' LEU . 66.4 mt -71.23 -37.7 72.0 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 112.571 0.582 . . . . 1.67 112.571 -177.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HA ' ' CD1' ' A' ' 9' ' ' LEU . 45.1 mt-10 -62.16 -48.22 81.05 Favored 'General case' 0 CA--C 1.518 -0.28 0 N-CA-C 108.015 -1.105 . . . . 1.8 108.015 168.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.3 t -51.89 -23.41 4.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 119.472 1.033 . . . . 1.14 111.966 178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.489 ' CB ' HD23 ' A' ' 13' ' ' LEU . 20.5 m -100.13 -17.31 17.49 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 115.031 1.493 . . . . 1.02 115.031 -176.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.75 ' HG ' ' O ' ' A' ' 5' ' ' LEU . 79.7 mt -55.86 -31.57 62.88 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 116.526 2.047 . . . . 1.04 116.526 -164.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -100.56 -1.97 34.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.551 -1.204 . . . . 1.32 110.252 176.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.487 ' O ' ' HG2' ' A' ' 14' ' ' LYS . 39.8 p -121.33 -101.37 0.42 Allowed 'General case' 0 N--CA 1.444 -0.747 0 CA-C-N 116.225 -0.443 . . . . 0.69 112.019 -176.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.407 ' HB2' ' HB3' ' A' ' 8' ' ' SER . 7.2 m170 -58.88 -40.63 84.97 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.751 -0.658 . . . . 1.5 111.495 -176.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.489 HD23 ' CB ' ' A' ' 8' ' ' SER . 3.9 mm? -106.71 22.91 15.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.456 0.646 . . . . 1.13 112.638 -170.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 59.3 pttt -70.75 -16.21 62.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.086 -0.961 . . . . 1.69 112.071 -175.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.47 ' HE1' HD11 ' A' ' 60' ' ' LEU . 58.2 p-90 -75.68 -8.79 57.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.669 -0.696 . . . . 0.35 110.465 179.195 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' O ' ' HE3' ' A' ' 21' ' ' LYS . 94.8 mt -73.34 144.86 46.34 Favored 'General case' 0 N--CA 1.447 -0.587 0 N-CA-C 108.561 -0.903 . . . . 0.31 108.561 172.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.7 m -82.26 157.56 23.83 Favored 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 114.344 -1.298 . . . . 1.24 109.425 176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -51.84 -47.82 64.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 117.861 0.301 . . . . 1.91 110.759 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -57.77 -35.7 71.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.286 -0.416 . . . . 2.49 110.399 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.76 ' O ' HD23 ' A' ' 24' ' ' LEU . 46.1 mt-30 -72.59 -48.59 38.62 Favored 'General case' 0 C--O 1.219 -0.544 0 N-CA-C 109.312 -0.625 . . . . 1.57 109.312 177.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.572 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 96.7 mttt -52.6 -50.76 62.43 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.108 0.48 . . . . 0.95 110.488 179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.541 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 27.4 t70 -64.58 -33.83 76.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.446 -0.797 . . . . 0.67 110.675 178.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' MET . 15.0 tt0 -60.31 -51.71 68.39 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 118.312 0.505 . . . . 1.43 110.639 172.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.76 HD23 ' O ' ' A' ' 20' ' ' GLN . 1.2 mm? -61.3 -36.3 79.7 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.032 0.444 . . . . 1.33 110.354 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 79.0 mt -66.96 -40.26 87.44 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.989 -0.55 . . . . 1.06 111.245 178.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 13.2 mmmm -65.76 -42.15 91.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.432 -0.349 . . . . 3.24 110.177 178.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' GLU . 74.2 mtp -53.74 -53.51 51.18 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.844 -0.616 . . . . 0.92 111.94 177.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -58.36 -40.12 81.37 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 111.902 0.334 . . . . 2.44 111.902 178.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -73.74 -32.22 63.74 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.411 0.523 . . . . 2.69 112.411 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -83.84 0.5 47.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.241 0.543 . . . . 2.14 111.113 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.59 23.14 40.59 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.052 -0.976 . . . . 0.63 112.46 172.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -68.4 140.39 55.82 Favored 'General case' 0 N--CA 1.443 -0.812 0 N-CA-C 108.287 -1.005 . . . . 1.65 108.287 171.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -65.23 153.28 41.46 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.836 -0.62 . . . . 0.59 110.862 -174.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.471 ' HA ' HD12 ' A' ' 37' ' ' LEU . 4.2 tmmm? -58.35 -37.19 74.68 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.333 -0.617 . . . . 2.97 109.333 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.589 ' HD3' ' OE1' ' A' ' 38' ' ' GLU . 30.5 mmtp -58.96 -21.39 58.43 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.237 -0.438 . . . . 2.82 111.788 175.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.525 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 37.6 mt-10 -81.74 -24.11 36.29 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 122.707 1.242 . . . . 0.85 110.724 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 HD12 ' HA ' ' A' ' 34' ' ' LYS . 35.1 mt -79.81 -41.46 26.41 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 112.788 -2.005 . . . . 1.22 110.031 176.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.632 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 51.1 mt-10 -66.28 -17.11 64.55 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 115.236 -0.893 . . . . 2.72 110.173 174.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -91.04 -40.89 11.38 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 112.721 0.638 . . . . 0.49 112.721 178.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.58 ' HE3' ' SD ' ' A' ' 27' ' ' MET . 14.7 tppt? -61.41 -51.82 67.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.794 -1.094 . . . . 1.34 110.711 176.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.2 mt -63.75 -42.44 95.95 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 116.322 -0.399 . . . . 0.39 111.674 -178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.632 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 21.5 mt -64.33 -32.66 74.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.86 0.362 . . . . 0.45 111.528 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -64.16 -49.42 72.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.094 -0.503 . . . . 1.23 109.901 173.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.496 ' HE2' HD21 ' A' ' 24' ' ' LEU . 21.3 m-85 -59.11 -44.44 91.97 Favored 'General case' 0 N--CA 1.461 0.099 0 CA-C-O 121.324 0.583 . . . . 0.68 110.281 177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -52.21 -50.97 60.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.31 -1.314 . . . . 0.58 111.295 179.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -73.98 -18.22 60.89 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.919 -0.312 . . . . 1.2 111.329 -175.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -93.17 7.57 43.72 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.667 0.27 . . . . 2.22 111.396 -178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 64.9 mt -71.05 -166.5 0.16 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.887 0.851 . . . . 1.11 112.871 -175.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.425 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 33.0 mt-10 -129.85 -171.76 2.6 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.662 -1.154 . . . . 2.83 109.431 -169.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -51.6 -79.06 0.08 OUTLIER Glycine 0 CA--C 1.523 0.578 0 C-N-CA 121.232 -0.508 . . . . 0.74 113.915 -175.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -74.72 -25.83 59.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.023 -0.362 . . . . 2.37 110.023 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.11 83.27 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.166 0.508 . . . . 0.43 110.268 179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.8 tptm -63.79 -51.63 63.96 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 115.447 -0.797 . . . . 1.62 109.424 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.94 -47.56 64.67 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.096 0.873 . . . . 2.49 110.924 178.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -65.89 -50.27 65.1 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-O 119.458 -0.306 . . . . 2.27 110.864 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.18 -49.75 76.68 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 119.853 -0.739 . . . . 0.37 109.697 -178.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.422 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 85.3 m -48.0 -48.27 32.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.606 -0.725 . . . . 0.51 112.436 176.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -66.69 -31.83 72.75 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 114.57 -1.195 . . . . 1.71 111.771 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 33.2 m-70 -77.51 -48.3 17.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.902 0.382 . . . . 0.77 110.085 -176.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.574 ' HB3' HD13 ' A' ' 123' ' ' ILE . 8.9 mp -62.33 -27.58 69.14 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 116.093 -0.503 . . . . 0.62 110.842 172.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 124' ' ' TYR . 68.7 mttt -60.99 -53.82 52.55 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.933 -0.395 . . . . 0.67 109.933 174.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.591 ' O ' ' HG2' ' A' ' 66' ' ' GLU . . . -55.54 -38.99 72.83 Favored Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.825 -0.51 . . . . 0.59 111.825 176.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.459 ' O ' HG13 ' A' ' 67' ' ' ILE . . . -58.25 -51.31 59.27 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.824 -0.703 . . . . 0.5 112.008 174.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 92.5 m -66.52 -27.98 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.788 0.328 . . . . 1.13 111.37 178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 tpp180 -64.16 -43.28 95.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.799 -0.445 . . . . 3.8 109.799 177.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' GLY . 22.4 mm-40 -66.39 -31.41 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.845 -0.616 . . . . 2.02 109.958 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.716 ' O ' HG23 ' A' ' 71' ' ' VAL . 70.4 mt -69.16 -47.72 72.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 CA-C-N 115.883 -0.599 . . . . 0.81 110.561 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 21.1 tp -65.6 -25.54 67.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.679 0.752 . . . . 1.71 109.654 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -69.65 -13.69 62.43 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.214 -1.357 . . . . 2.22 109.759 173.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.43 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 7.4 t60 -99.42 -56.77 2.31 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.31 -0.859 . . . . 1.76 108.943 178.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.716 HG23 ' O ' ' A' ' 67' ' ' ILE . 1.8 t -59.64 -60.69 2.1 Favored 'Isoleucine or valine' 0 C--N 1.344 0.355 0 CA-C-N 115.13 -0.941 . . . . 1.46 111.677 -175.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HB1' ' A' ' 100' ' ' ALA . 0.3 OUTLIER -93.76 -14.73 8.11 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 115.79 -0.641 . . . . 0.8 111.405 -172.358 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 85.0 173.9 50.09 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.527 -0.761 . . . . 0.55 111.777 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.38 -6.09 48.21 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.027 0.441 . . . . 2.31 110.313 179.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 33.6 tt0 -66.08 -68.16 0.39 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.417 -0.811 . . . . 2.0 111.532 175.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' HB2' ' CG2' ' A' ' 72' ' ' VAL . 14.0 mmmm -79.74 -34.14 40.2 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 116.202 -0.454 . . . . 1.43 111.019 -170.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -61.51 -28.29 69.2 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.072 0.463 . . . . 0.7 109.838 176.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -68.11 -41.34 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.79 -0.641 . . . . 0.73 109.883 175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 83' ' ' LEU . 24.6 mt-10 -74.09 -27.93 61.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.566 -0.743 . . . . 1.33 111.143 -177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 52.8 mt -79.34 -29.55 42.31 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.914 0.388 . . . . 0.98 110.948 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -68.07 -53.22 27.14 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.788 -0.819 . . . . 2.12 108.788 175.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -63.32 -39.07 93.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.538 -0.756 . . . . 1.54 109.737 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 0.6 OUTLIER -56.83 -44.52 82.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.915 0.388 . . . . 1.37 110.153 178.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' HA ' ' HB3' ' A' ' 88' ' ' ALA . 1.7 tmmt? -64.38 -51.07 65.11 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.838 -0.619 . . . . 2.27 110.665 -176.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.5 -19.42 63.74 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.843 0.312 . . . . 2.52 111.843 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 33.5 t -81.03 -10.99 59.63 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.079 0.466 . . . . 1.52 110.169 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 111.16 39.81 1.34 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.783 -0.723 . . . . 0.92 112.453 176.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.562 ' HB2' HD22 ' A' ' 83' ' ' LEU . . . -84.4 127.05 33.78 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.569 -0.9 . . . . 0.83 108.569 173.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 9.6 m -72.11 167.18 20.78 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.281 -1.327 . . . . 1.6 110.447 176.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.535 ' HB2' HG12 ' A' ' 126' ' ' VAL . 25.6 pttm -53.92 -33.96 58.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.882 0.372 . . . . 2.96 110.684 -178.122 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.532 ' HA ' ' HB3' ' A' ' 94' ' ' LYS . 45.5 mt-10 -73.08 -35.04 66.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.978 -0.555 . . . . 2.34 112.294 -176.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.74 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 8.0 mm-40 -64.01 -35.72 81.63 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 108.626 -0.879 . . . . 1.45 108.626 178.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.881 ' O ' ' HB ' ' A' ' 97' ' ' VAL . 0.5 OUTLIER -72.66 -39.11 67.37 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 107.314 -1.365 . . . . 1.08 107.314 171.447 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HB3' ' HA ' ' A' ' 91' ' ' GLU . 53.8 tttm -65.11 -43.41 92.1 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 119.206 0.912 . . . . 2.06 110.939 -172.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.34 -51.17 5.56 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.175 -0.92 . . . . 0.93 112.541 -175.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.74 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 67.4 mmtt -63.4 -21.19 66.14 Favored 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 112.79 0.663 . . . . 3.11 112.79 -178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.881 ' HB ' ' O ' ' A' ' 93' ' ' LEU . 0.3 OUTLIER -62.71 -36.07 73.59 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.005 -0.543 . . . . 0.97 109.827 173.104 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.1 mm-40 -76.79 -28.82 55.78 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.659 -0.7 . . . . 2.03 111.091 -175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -58.88 -39.09 80.37 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.29 -0.633 . . . . 2.48 109.29 173.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.65 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -78.61 -44.52 23.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.183 -0.917 . . . . 0.63 111.565 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.3 mt -74.16 -13.37 60.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.359 . . . . 1.4 111.906 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.3 m170 -84.8 -47.06 10.77 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.021 -1.103 . . . . 2.48 108.021 169.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.56 -2.28 2.28 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.883 0.698 . . . . 0.64 112.883 -174.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.578 HG11 HD11 ' A' ' 113' ' ' ILE . 7.3 p -89.43 146.75 5.79 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 CA-C-O 121.155 0.502 . . . . 1.68 110.056 177.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.531 ' HA ' ' HD3' ' A' ' 110' ' ' LYS . 2.9 p -144.02 10.41 1.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.589 -0.732 . . . . 1.03 112.694 -178.081 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.491 ' HB3' ' HD2' ' A' ' 109' ' ' LYS . 9.0 t70 -82.9 121.3 26.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.008 0.433 . . . . 2.07 110.835 170.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.32 -50.11 60.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.011 -0.995 . . . . 3.18 113.669 -166.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.43 -40.99 98.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.967 -0.56 . . . . 2.78 111.059 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.648 ' HD3' ' O ' ' A' ' 71' ' ' VAL . 60.7 mttp -58.4 -43.05 88.41 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.207 0.527 . . . . 1.81 110.639 176.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.531 ' HD3' ' HA ' ' A' ' 105' ' ' THR . 48.4 mtmt -78.11 -15.22 59.07 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.469 0.652 . . . . 1.14 111.531 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -68.37 -38.22 81.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.72 -1.127 . . . . 1.69 109.221 171.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -68.12 -36.52 79.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.759 -0.655 . . . . 0.92 110.013 175.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.578 HD11 HG11 ' A' ' 104' ' ' VAL . 54.4 mt -58.76 -48.15 86.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.093 -0.503 . . . . 0.72 111.351 176.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.53 -41.62 79.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.63 110.841 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.94 -60.96 2.02 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.209 0.528 . . . . 1.73 111.583 -176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.416 ' HD1' ' SG ' ' A' ' 120' ' ' CYS . 0.3 OUTLIER -97.39 -23.42 16.1 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.049 -0.523 . . . . 1.62 111.976 -170.403 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.5 -66.83 1.27 Allowed Glycine 0 CA--C 1.534 1.263 0 N-CA-C 114.705 0.642 . . . . 0.56 114.705 -174.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.46 -23.15 65.02 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.686 2.257 . . . . 0.65 113.232 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -83.9 -34.67 24.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.46 110.673 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . 0.444 ' HA ' ' HB ' ' A' ' 123' ' ' ILE . 89.7 m -61.46 -25.93 67.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.048 -0.524 . . . . 1.17 110.338 170.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HE3' ' HG3' ' A' ' 94' ' ' LYS . 19.9 tptm -55.9 -56.91 15.03 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.13 -0.486 . . . . 1.47 111.216 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.593 ' HD2' HD22 ' A' ' 42' ' ' LEU . 0.8 OUTLIER -65.06 -31.48 72.72 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 109.826 -0.435 . . . . 1.5 109.826 176.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.574 HD13 ' HB3' ' A' ' 60' ' ' LEU . 89.6 mt -66.08 -43.45 92.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 122.793 1.282 . . . . 0.54 112.551 -177.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.599 ' O ' HG13 ' A' ' 126' ' ' VAL . 44.2 m-85 -83.33 22.41 1.02 Allowed 'General case' 0 C--O 1.22 -0.499 0 CA-C-N 113.108 -1.86 . . . . 1.28 110.622 172.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.405 ' C ' ' H ' ' A' ' 127' ' ' HIS . . . -16.46 30.97 0.0 OUTLIER Glycine 0 N--CA 1.485 1.925 0 C-N-CA 128.03 2.729 . . . . 0.86 119.43 -148.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 124' ' ' TYR . 30.3 m -66.73 40.19 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 C-N-CA 123.933 0.893 . . . . 1.53 111.468 169.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . 0.405 ' H ' ' C ' ' A' ' 125' ' ' GLY . 17.6 t-80 -88.24 -17.23 31.22 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.818 0.342 . . . . 2.77 110.665 -174.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.1 p -82.43 177.69 8.61 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.271 -0.422 . . . . 3.63 111.14 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.655 -0.688 . . . . 5.56 110.388 -179.133 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.996 -0.442 . . . . 12.2 111.996 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' SER . . . . . . . . . . . . . 25.3 m -111.83 98.53 41.97 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-O 120.657 0.265 . . . . 10.23 110.513 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -73.11 -23.12 18.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.592 2.195 . . . . 9.01 112.763 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -110.48 39.07 2.28 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.196 -0.456 . . . . 8.29 110.566 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' PHE . . . . . 0.476 ' CD2' ' HB2' ' A' ' 2' ' ' HIS . 6.1 t80 -70.83 -36.76 73.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.044 -0.525 . . . . 5.37 109.997 -178.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.1 t60 51.14 55.61 9.25 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.358 0.599 . . . . 5.61 110.21 175.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.476 ' HB2' ' CD2' ' A' ' 0' ' ' PHE . 10.1 t-80 -101.78 94.09 5.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 3.83 110.101 -175.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 59.53 40.41 20.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.644 -0.707 . . . . 1.22 111.167 -177.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 73.7 p -74.89 151.72 38.93 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.41 -0.589 . . . . 0.96 109.41 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.423 ' HG ' HD12 ' A' ' 37' ' ' LEU . 1.8 tm? -50.68 -42.34 56.72 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.726 0.639 . . . . 1.67 112.726 -172.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HD23 ' A' ' 9' ' ' LEU . 10.7 mt-10 -43.3 -38.72 2.74 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 123.757 0.661 . . . . 1.8 111.034 172.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -54.94 -17.51 3.79 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.918 1.081 . . . . 1.14 113.918 -168.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.459 ' HB2' ' HB2' ' A' ' 12' ' ' HIS . 13.8 p -98.63 -25.64 14.64 Favored 'General case' 0 C--O 1.22 -0.481 0 N-CA-C 114.482 1.29 . . . . 1.02 114.482 -176.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.574 ' O ' ' HA ' ' A' ' 14' ' ' LYS . 3.7 mm? -50.77 -30.48 14.18 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 118.186 2.661 . . . . 1.04 118.186 -162.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.08 6.44 33.25 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.264 -0.88 . . . . 1.32 110.989 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.7 p -130.59 -91.58 0.44 Allowed 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 121.266 0.555 . . . . 0.69 111.683 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.486 ' HA ' ' HB3' ' A' ' 59' ' ' HIS . 35.6 m-70 -61.52 -38.96 89.3 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.128 -0.942 . . . . 1.5 111.154 -178.615 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 22.3 mt -108.36 20.69 18.31 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.887 0.851 . . . . 1.13 112.926 -174.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.574 ' HA ' ' O ' ' A' ' 9' ' ' LEU . 24.6 ttpp -64.57 -24.73 67.69 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 114.449 -1.251 . . . . 1.69 111.749 -175.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.4 ' HE1' HD11 ' A' ' 60' ' ' LEU . 53.1 p-90 -74.13 -7.19 51.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 0.35 111.415 -177.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 80.4 mt -75.12 147.85 40.19 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.857 -0.794 . . . . 0.31 108.857 174.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.481 ' O ' ' HG3' ' A' ' 21' ' ' LYS . 88.2 p -80.15 165.96 21.94 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.02 -0.991 . . . . 1.24 109.145 176.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.0 tp60 -58.08 -47.2 83.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.379 -0.6 . . . . 1.91 109.379 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -59.24 -34.5 72.3 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-N 115.772 -0.649 . . . . 2.49 111.353 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.498 ' O ' HD13 ' A' ' 24' ' ' LEU . 97.8 mt-30 -73.27 -45.03 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.831 -0.433 . . . . 1.57 109.831 177.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 49.5 mttp -55.62 -49.49 72.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.358 0.599 . . . . 0.95 109.724 177.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -65.78 -32.95 74.77 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.994 -1.003 . . . . 0.67 111.789 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -59.21 -54.19 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.958 0.344 . . . . 1.43 111.098 170.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.498 HD13 ' O ' ' A' ' 20' ' ' GLN . 7.9 mp -61.24 -43.83 98.25 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 122.391 0.276 . . . . 1.33 111.676 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 21' ' ' LYS . 85.9 mt -59.43 -40.17 85.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.834 0.349 . . . . 1.06 110.313 177.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -62.69 -44.61 95.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 3.24 110.717 179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.432 ' HE1' ' HB2' ' A' ' 40' ' ' LYS . 32.5 mtm -59.92 -53.47 57.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.01 -0.541 . . . . 0.92 112.066 177.062 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -62.45 -38.12 88.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 2.44 111.204 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -70.2 -31.15 68.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.03 -0.532 . . . . 2.69 111.899 -179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -90.69 0.22 57.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.953 0.882 . . . . 2.14 111.267 -177.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 94.5 23.19 22.21 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.954 -1.021 . . . . 0.63 113.241 172.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -70.53 148.01 48.69 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 108.485 -0.931 . . . . 1.65 108.485 171.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.44 ' HB3' ' HG3' ' A' ' 36' ' ' GLU . . . -67.62 149.78 49.63 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.707 -0.678 . . . . 0.59 110.826 -176.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -53.62 -37.41 63.01 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.527 -0.546 . . . . 2.97 109.527 175.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -57.68 -17.43 14.96 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.854 -0.612 . . . . 2.82 112.016 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.44 ' HG3' ' HB3' ' A' ' 33' ' ' ALA . 35.2 mt-10 -90.12 -24.44 21.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 122.384 1.088 . . . . 0.85 111.488 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 33' ' ' ALA . 1.9 mm? -68.42 -46.27 70.37 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 113.121 -1.854 . . . . 1.22 110.384 172.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.647 ' O ' ' HG ' ' A' ' 42' ' ' LEU . 4.0 mp0 -64.56 -15.76 61.53 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 116.074 -0.512 . . . . 2.72 110.53 176.379 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.22 -42.62 12.17 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 112.628 0.603 . . . . 0.49 112.628 -175.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.477 ' HG3' ' CZ ' ' A' ' 44' ' ' TYR . 11.0 tppt? -67.84 -42.93 80.67 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.741 -0.663 . . . . 1.34 109.311 176.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.84 -48.88 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.949 -0.569 . . . . 0.39 111.609 178.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 38' ' ' GLU . 30.4 mt -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.149 0.499 . . . . 0.45 111.385 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -66.25 -49.44 67.18 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.499 -0.773 . . . . 1.23 110.134 173.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.477 ' CZ ' ' HG3' ' A' ' 40' ' ' LYS . 19.2 m-85 -53.92 -49.59 68.29 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.524 0.678 . . . . 0.68 110.429 174.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -53.02 -48.21 67.73 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.075 -1.421 . . . . 0.58 111.723 -177.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -70.62 -24.72 62.78 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.59 -0.277 . . . . 1.2 111.339 -176.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -88.89 5.21 44.97 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.294 -0.254 . . . . 2.22 111.132 -177.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB3' ' H ' ' A' ' 49' ' ' GLU . 53.0 mt -70.11 -167.32 0.16 Allowed 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 121.602 0.715 . . . . 1.11 112.794 -175.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' HB3' ' A' ' 48' ' ' LEU . 56.0 mm-40 -153.87 139.23 17.61 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.72 -1.127 . . . . 2.83 109.932 -166.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 28.6 -108.29 0.02 OUTLIER Glycine 0 N--CA 1.472 1.036 0 N-CA-C 115.819 1.088 . . . . 0.74 115.819 169.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -73.99 -26.88 60.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 119.68 -0.2 . . . . 2.37 110.85 -176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.72 -45.23 93.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 108.674 -0.861 . . . . 0.43 108.674 178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.425 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 23.5 tptm -62.26 -57.54 11.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 114.426 -1.261 . . . . 1.62 110.175 178.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 pttt -53.19 -45.31 68.5 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.429 -0.805 . . . . 2.49 111.541 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -67.33 -48.5 67.38 Favored 'General case' 0 CA--C 1.505 -0.778 0 N-CA-C 110.346 -0.242 . . . . 2.27 110.346 179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.509 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -58.93 -52.65 64.85 Favored 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 120.156 -0.618 . . . . 0.37 109.588 -177.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.407 ' O ' ' HG3' ' A' ' 61' ' ' LYS . 41.1 m -48.71 -48.52 40.27 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.528 0.68 . . . . 0.51 112.476 178.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.96 -23.28 63.15 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 114.778 -1.101 . . . . 1.71 111.606 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 12' ' ' HIS . 25.8 m-70 -80.0 -48.53 13.2 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.649 -0.501 . . . . 0.77 109.649 177.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.509 HD13 ' O ' ' A' ' 56' ' ' ALA . 10.0 mp -58.7 -33.21 69.92 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.741 -0.663 . . . . 0.62 111.76 172.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 57' ' ' THR . 86.7 mttt -61.04 -53.55 55.73 Favored 'General case' 0 CA--C 1.516 -0.349 0 C-N-CA 121.123 -0.231 . . . . 0.67 110.379 177.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -56.31 -39.38 82.29 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.743 -0.741 . . . . 0.59 111.814 176.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.28 -54.61 36.43 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 121.288 -0.482 . . . . 0.5 112.497 176.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.15 -24.41 63.16 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.767 0.318 . . . . 1.13 110.749 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -61.36 -44.9 96.4 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.6 -0.519 . . . . 3.8 109.6 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -65.85 -26.68 67.76 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.308 -0.405 . . . . 2.02 110.4 176.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.762 ' O ' HG23 ' A' ' 71' ' ' VAL . 68.0 mt -70.3 -50.47 46.25 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.633 0 CA-C-N 116.173 -0.467 . . . . 0.81 110.772 174.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.575 ' O ' HG12 ' A' ' 72' ' ' VAL . 0.4 OUTLIER -61.4 -30.75 70.75 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.769 0.795 . . . . 1.71 109.82 174.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -65.86 -14.93 62.38 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 113.296 -1.775 . . . . 2.22 110.059 175.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -101.85 -58.34 1.9 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.106 -0.952 . . . . 1.76 110.165 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.762 HG23 ' O ' ' A' ' 67' ' ' ILE . 2.9 t -54.77 -60.11 1.79 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 114.146 -1.388 . . . . 1.46 111.052 -173.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.643 HG21 ' HB1' ' A' ' 100' ' ' ALA . 5.8 p -85.07 -41.73 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 C-N-CA 120.034 -0.666 . . . . 0.8 110.905 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.16 178.61 15.71 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.795 -0.717 . . . . 0.55 112.526 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -61.13 -48.38 81.89 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.525 0.33 . . . . 2.31 111.084 -178.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.614 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 41.0 tt0 -44.17 -63.39 0.88 Allowed 'General case' 0 N--CA 1.464 0.264 0 O-C-N 124.049 0.843 . . . . 2.0 112.666 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.556 ' HB3' ' CG1' ' A' ' 72' ' ' VAL . 16.9 tppt? -74.55 -41.08 61.19 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.435 -0.348 . . . . 1.43 111.473 -169.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.6 -29.66 68.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.7 110.139 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -71.21 -43.83 66.58 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.537 -0.756 . . . . 0.73 110.077 175.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.614 ' HG3' ' O ' ' A' ' 75' ' ' GLU . 22.7 mt-10 -68.57 -27.87 66.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.964 -0.562 . . . . 1.33 111.273 -178.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 76' ' ' LYS . 65.9 mt -76.91 -35.73 57.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.727 0.299 . . . . 0.98 110.857 178.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -66.19 -47.1 75.0 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.074 -0.713 . . . . 2.12 109.074 177.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -67.39 -32.51 73.46 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.901 -0.59 . . . . 1.54 109.902 177.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 1.2 mt -60.85 -43.85 97.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.159 0.504 . . . . 1.37 109.673 178.253 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.07 -48.12 79.98 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.716 -0.675 . . . . 2.27 110.109 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -65.88 -30.96 71.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.42 0.526 . . . . 2.52 112.42 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.9 p -81.43 -8.92 59.8 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.388 -0.525 . . . . 1.52 110.734 -178.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 113.72 40.54 1.0 Allowed Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.764 -0.732 . . . . 0.92 112.832 174.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB1' ' HB2' ' A' ' 92' ' ' GLU . . . -83.92 125.35 31.93 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.711 -0.848 . . . . 0.83 108.711 172.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.4 p -74.52 -178.52 3.59 Favored 'General case' 0 N--CA 1.438 -1.075 0 CA-C-N 114.32 -1.309 . . . . 1.6 109.8 175.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HB3' HG13 ' A' ' 126' ' ' VAL . 48.6 mtmt -57.14 -31.49 65.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.697 0.284 . . . . 2.96 110.385 178.376 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -80.71 -44.55 18.53 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.411 0.523 . . . . 2.34 112.411 -170.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.775 ' O ' ' HB2' ' A' ' 96' ' ' LYS . 6.4 mm-40 -60.65 -38.89 86.35 Favored 'General case' 0 C--O 1.217 -0.607 0 C-N-CA 123.252 0.621 . . . . 1.45 110.363 176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 97' ' ' VAL . 30.5 mt -70.17 -45.47 66.65 Favored 'General case' 0 C--O 1.215 -0.742 0 N-CA-C 107.038 -1.468 . . . . 1.08 107.038 170.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 14.6 tmtt? -62.16 -42.51 99.33 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-N 120.635 1.561 . . . . 2.06 110.266 -170.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.32 -49.29 9.53 Favored 'General case' 0 N--CA 1.433 -1.287 0 CA-C-N 115.028 -0.987 . . . . 0.93 112.255 -174.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.775 ' HB2' ' O ' ' A' ' 92' ' ' GLU . 4.1 mptp? -59.18 -28.81 66.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.51 0.672 . . . . 3.11 112.542 179.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 93' ' ' LEU . 40.8 t -68.81 -43.57 82.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 115.218 -0.901 . . . . 0.97 110.416 175.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 94' ' ' LYS . 40.9 mt-10 -60.3 -31.71 70.52 Favored 'General case' 0 CA--C 1.519 -0.234 0 C-N-CA 121.063 -0.255 . . . . 2.03 110.593 178.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -65.04 -36.79 85.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.961 0.41 . . . . 2.48 109.969 177.117 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.643 ' HB1' HG21 ' A' ' 72' ' ' VAL . . . -73.07 -47.28 45.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.944 -0.571 . . . . 0.63 110.655 176.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 97' ' ' VAL . 1.9 mm? -65.38 -17.56 64.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 1.4 111.86 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -88.62 -48.33 7.63 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.938 -0.764 . . . . 2.48 108.938 172.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.04 -5.99 7.68 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 112.843 0.683 . . . . 0.64 112.843 -173.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.598 HG11 HD11 ' A' ' 113' ' ' ILE . 5.6 p -85.09 143.57 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.346 0 CA-C-O 121.05 0.453 . . . . 1.68 109.987 177.039 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.5 p -144.03 9.38 1.49 Allowed 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 119.975 -0.69 . . . . 1.03 112.425 -176.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -82.83 117.65 22.86 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.579 -0.526 . . . . 2.07 109.579 171.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -49.16 -49.83 40.64 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.815 -1.084 . . . . 3.18 113.448 -164.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -52.67 -45.04 66.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.651 -0.704 . . . . 2.78 110.764 178.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.571 ' HG3' ' HA ' ' A' ' 71' ' ' VAL . 12.7 mptt -62.55 -42.13 99.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.435 -0.802 . . . . 1.81 110.977 -177.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' HA ' HG13 ' A' ' 113' ' ' ILE . 46.7 mtmt -73.95 -14.87 61.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.696 0.76 . . . . 1.14 111.754 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 10.3 mm100 -70.22 -35.79 74.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.858 -1.064 . . . . 1.69 111.021 169.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -71.11 -30.11 66.1 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.637 -0.505 . . . . 0.92 109.637 175.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.598 HD11 HG11 ' A' ' 104' ' ' VAL . 53.0 mt -59.48 -55.51 23.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.799 -0.637 . . . . 0.72 110.701 174.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.62 -41.91 92.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.97 -0.559 . . . . 0.63 110.551 179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -69.37 -62.58 1.32 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.04 0.448 . . . . 1.73 111.201 -175.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.41 -24.63 15.53 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.891 -0.595 . . . . 1.62 112.391 -170.255 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -44.89 -68.4 0.95 Allowed Glycine 0 CA--C 1.535 1.323 0 N-CA-C 115.105 0.802 . . . . 0.56 115.105 -174.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.49 -25.58 80.89 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.805 2.337 . . . . 0.65 113.632 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' HG13 ' A' ' 123' ' ' ILE . . . -86.4 -32.2 21.04 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.178 0.513 . . . . 0.46 110.918 179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' CYS . . . . . . . . . . . . . 52.3 t -58.0 -31.78 67.28 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.523 -0.762 . . . . 1.17 110.005 170.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -53.83 -57.02 12.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.398 -0.819 . . . . 1.47 111.433 178.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.442 ' HD3' HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -66.02 -29.82 70.25 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.708 -0.479 . . . . 1.5 109.708 178.107 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 119' ' ' ALA . 65.1 mt -66.16 -45.53 89.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 122.598 1.189 . . . . 0.54 112.495 -177.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.507 ' O ' ' N ' ' A' ' 126' ' ' VAL . 15.8 m-85 -76.71 23.85 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 113.185 -1.825 . . . . 1.28 110.942 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -14.5 33.24 0.0 OUTLIER Glycine 0 N--CA 1.483 1.803 0 C-N-CA 128.125 2.774 . . . . 0.86 119.365 -149.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 124' ' ' TYR . 4.0 t -31.13 -57.94 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 124.256 1.022 . . . . 1.53 111.097 169.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 58.59 55.18 4.94 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.904 0.859 . . . . 2.77 110.329 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 50.7 m -130.53 93.79 3.52 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.871 -1.059 . . . . 3.63 109.429 176.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.448 -0.787 . . . . 5.56 110.039 -178.288 . . . . . . . . 0 0 . 1 stop_ save_