data_1p1a_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 1p1a _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.568 0.699 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.4 HD13 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.163 0.506 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.863 0.363 . . . . 10.0 110.654 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 114.89 1.441 . . . . 10.0 114.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.084 0.469 . . . . 10.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 121.1 0.476 . . . . 10.0 110.039 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.556 0.694 . . . . 10.0 112.065 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -63.03 -22.9 67.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.351 1.06 . . . . 10.0 113.612 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.93 165.72 21.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.744 2.017 . . . . 10.0 110.371 166.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.464 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -140.02 140.78 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.5 p -132.86 -3.86 3.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.274 2.4 tppp? 112.67 -43.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.567 0 C-N-CA 130.368 3.467 . . . . 10.0 116.532 162.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -75.57 171.37 68.45 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 123.78 2.386 . . . . 10.0 112.801 -11.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.89 12.28 0.71 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.738 1.615 . . . . 10.0 114.784 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 114.4 2.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.004 1.322 . . . . 10.0 112.431 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -140.38 153.78 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.173 1.789 . . . . 10.0 110.912 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 t -60.86 143.86 53.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.815 0.846 . . . . 10.0 112.347 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.1 1.76 . . . . 10.0 111.779 -178.212 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -142.99 39.58 1.48 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.831 1.652 . . . . 10.0 111.37 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -47.34 147.7 1.53 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 140.81 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.8 t -140.72 150.19 43.12 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.365 2.266 . . . . 10.0 106.251 164.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.33 138.09 81.26 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 121.126 -0.984 . . . . 10.0 111.449 -169.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.07 -17.96 6.49 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.619 3.546 . . . . 10.0 117.793 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.27 -21.26 65.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.979 1.312 . . . . 10.0 113.795 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.17 107.17 2.66 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.611 1.164 . . . . 10.0 111.455 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.79 6.41 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 125.297 1.439 . . . . 10.0 113.918 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.7 m -130.33 150.14 51.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.758 1.623 . . . . 10.0 111.916 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.887 1.675 . . . . 10.0 110.92 -177.477 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.875 -0.49 . . . . 10.0 111.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m 53.08 33.1 14.23 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.429 1.491 . . . . 10.0 114.469 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -67.13 164.68 17.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.031 1.332 . . . . 10.0 113.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 HD13 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.46 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.66 99.66 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.8 p -141.66 150.42 41.9 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.757 2.023 . . . . 10.0 110.018 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.75 99.1 46.98 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.148 0.979 . . . . 10.0 111.863 -170.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.53 176.92 9.35 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.611 2.874 . . . . 10.0 112.413 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -133.33 159.56 39.92 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.259 1.823 . . . . 10.0 111.126 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.01 99.79 3.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.902 1.281 . . . . 10.0 110.595 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.94 -6.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.335 1.454 . . . . 10.0 113.528 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -132.97 150.2 52.18 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.105 1.762 . . . . 10.0 110.727 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 126.105 1.762 . . . . 10.0 112.233 -175.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.729 -0.549 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -69.39 -6.25 28.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.387 1.995 . . . . 10.0 116.387 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 60.26 163.21 0.06 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 10.0 115.196 -169.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 HD11 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.509 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.78 159.21 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.13 118.3 11.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.124 0.97 . . . . 10.0 112.326 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.555 ' H ' ' HA ' ' A' ' 80' ' ' PRO . 46.7 tptt -149.06 -34.33 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 C-N-CA 129.211 3.004 . . . . 10.0 116.642 -12.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HA ' ' H ' ' A' ' 79' ' ' LYS . 96.5 Cg_endo -73.08 158.28 98.47 Favored 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 123.842 2.408 . . . . 10.0 113.836 -6.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 58.67 -43.65 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.141 3.377 . . . . 10.0 118.318 173.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 113.02 6.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.863 1.265 . . . . 10.0 112.484 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -140.13 139.43 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.916 1.686 . . . . 10.0 109.122 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -130.46 150.24 51.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.212 1.405 . . . . 10.0 112.286 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.065 1.746 . . . . 10.0 111.78 178.384 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -66.81 -20.93 66.03 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.02 164.9 37.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.756 1.622 . . . . 10.0 111.729 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.477 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.14 153.18 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -140.28 172.65 12.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.364 1.866 . . . . 10.0 109.182 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -12.14 112.99 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.617 1.967 . . . . 10.0 114.746 155.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.05 149.74 26.17 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.637 2.891 . . . . 10.0 113.633 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -55.83 -24.32 35.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.772 2.138 . . . . 10.0 116.772 -170.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.77 99.64 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.06 . . . . 10.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.56 155.11 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.067 1.347 . . . . 10.0 111.806 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.9 m -130.48 150.34 51.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.762 1.625 . . . . 10.0 111.988 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 125.666 1.586 . . . . 10.0 113.551 174.694 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.207 -0.357 . . . . 10.0 112.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.56 -0.92 16.63 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.319 1.6 . . . . 10.0 115.319 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.41 6.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.905 1.682 . . . . 10.0 114.419 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.5 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.24 119.65 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -145.95 150.07 35.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.288 1.035 . . . . 10.0 112.393 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -154.06 138.08 10.92 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.403 1.481 . . . . 10.0 109.886 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -66.65 -12.85 37.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.761 2.308 . . . . 10.0 114.878 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.94 -27.27 68.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.898 1.279 . . . . 10.0 113.38 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.31 109.26 15.65 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.376 1.07 . . . . 10.0 111.097 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.1 157.21 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.618 1.567 . . . . 10.0 111.744 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 t -131.05 150.25 52.23 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.399 1.479 . . . . 10.0 111.508 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.088 1.755 . . . . 10.0 110.848 -175.024 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -137.37 14.95 2.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.624 1.17 . . . . 10.0 113.732 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.97 165.8 24.5 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.28 1.832 . . . . 10.0 110.654 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.72 156.81 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.72 154.39 46.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.078 1.351 . . . . 10.0 112.084 170.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.5 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 64.5 tttp -131.85 -47.17 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.124 1.77 . . . . 10.0 115.029 -174.51 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 83.2 Cg_endo -74.51 162.43 38.09 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 CA-C-N 122.441 1.908 . . . . 10.0 112.737 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -150.37 141.07 22.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.398 1.479 . . . . 10.0 111.336 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 106.24 3.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 10.0 110.925 170.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -136.75 134.44 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.47 1.508 . . . . 10.0 109.983 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -130.65 150.35 51.88 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.802 1.641 . . . . 10.0 111.738 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 126.135 1.774 . . . . 10.0 110.679 179.274 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.469 -1.052 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -150.33 2.63 0.49 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.141 1.377 . . . . 10.0 114.389 -172.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -43.1 135.63 3.13 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 -164.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.85 141.65 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.85 150.84 43.78 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.291 1.436 . . . . 10.0 112.109 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -142.23 138.55 16.76 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 126.009 1.724 . . . . 10.0 110.162 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.24 143.36 64.69 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.728 2.952 . . . . 10.0 114.055 168.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -135.82 7.06 3.21 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.639 1.576 . . . . 10.0 113.666 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.9 4.41 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.53 1.132 . . . . 10.0 112.059 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.13 -11.26 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.939 1.295 . . . . 10.0 113.819 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -60.93 147.77 42.05 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.085 1.354 . . . . 10.0 113.437 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.627 1.571 . . . . 10.0 113.375 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 110.769 -0.932 . . . . 10.0 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -70.26 53.42 0.14 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.42 2.288 . . . . 10.0 113.529 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -58.49 161.35 4.58 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.059 2.144 . . . . 10.0 114.89 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.4 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -138.1 140.54 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -140.42 150.53 43.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.421 1.088 . . . . 10.0 112.772 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -145.44 144.86 24.17 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.744 2.018 . . . . 10.0 109.84 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -51.79 -19.83 8.65 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.385 3.39 . . . . 10.0 118.271 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -63.44 -20.63 65.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.44 114.56 3.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.647 1.179 . . . . 10.0 111.972 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.12 -1.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.745 1.218 . . . . 10.0 113.733 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 m -60.42 150.1 32.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.317 1.447 . . . . 10.0 113.679 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.437 1.895 . . . . 10.0 112.791 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.661 -0.575 . . . . 10.0 111.661 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -66.05 -22.4 66.43 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.666 1.358 . . . . 10.0 114.666 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -148.92 165.63 30.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.924 1.689 . . . . 10.0 111.221 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t -138.74 144.71 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 p -140.36 125.82 18.97 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.408 1.883 . . . . 10.0 110.065 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -136.56 153.55 76.09 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 126.296 1.838 . . . . 10.0 110.916 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.54 143.02 55.58 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.027 2.484 . . . . 10.0 112.496 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.06 -30.07 69.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.605 1.162 . . . . 10.0 113.061 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.41 99.93 1.01 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.001 1.32 . . . . 10.0 111.871 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.59 -33.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.947 1.299 . . . . 10.0 112.972 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 p -130.88 150.61 51.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.271 1.829 . . . . 10.0 111.977 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.855 1.662 . . . . 10.0 110.842 -175.747 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 N-CA-C 111.788 -0.525 . . . . 10.0 111.788 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -158.61 -23.77 0.08 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.503 1.521 . . . . 10.0 114.539 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 58.55 146.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.241 2.217 . . . . 10.0 116.309 -170.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.67 137.42 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.9 p -138.98 150.04 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.344 1.458 . . . . 10.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptp 43.46 53.26 9.55 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 125.954 1.702 . . . . 10.0 114.609 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.32 174.15 10.43 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.334 2.69 . . . . 10.0 112.245 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -72.77 55.77 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.218 1.807 . . . . 10.0 112.389 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.13 99.69 1.16 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.929 1.292 . . . . 10.0 111.382 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.0 3.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 125.238 1.415 . . . . 10.0 113.779 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -130.77 150.35 51.99 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.088 1.755 . . . . 10.0 111.423 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.208 1.803 . . . . 10.0 112.227 -178.444 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.036 -0.426 . . . . 10.0 112.036 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m -132.39 7.03 4.17 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.293 1.22 . . . . 10.0 114.293 -171.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -66.49 167.17 11.21 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t -140.35 135.96 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -140.86 158.85 43.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.564 1.146 . . . . 10.0 111.847 165.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.514 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 7.3 mmtt -145.14 -44.32 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.762 0 CA-C-O 116.944 -1.503 . . . . 10.0 114.667 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.514 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 93.0 Cg_endo -81.16 -19.49 8.0 Favored 'Trans proline' 0 C--N 1.354 0.835 0 CA-C-N 121.836 1.691 . . . . 10.0 114.74 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -148.5 148.08 29.83 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.105 1.762 . . . . 10.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.54 104.08 5.94 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.99 0.916 . . . . 10.0 110.622 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.64 159.98 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 10.0 112.076 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 t -130.92 158.72 39.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.826 1.65 . . . . 10.0 112.33 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.131 1.772 . . . . 10.0 111.134 -174.58 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.838 -0.905 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -24.24 65.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.187 0.995 . . . . 10.0 113.484 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -128.67 166.6 18.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.462 1.905 . . . . 10.0 110.039 169.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.11 160.49 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.3 p -135.83 69.18 1.43 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.615 1.566 . . . . 10.0 109.337 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.83 156.98 70.49 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.569 1.548 . . . . 10.0 112.564 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -74.62 -4.48 15.48 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.904 3.07 . . . . 10.0 115.038 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -58.18 164.28 2.47 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.429 1.492 . . . . 10.0 113.85 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 99.25 5.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.896 1.278 . . . . 10.0 109.844 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.5 t -140.31 144.9 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.357 1.863 . . . . 10.0 109.496 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -130.32 130.94 45.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.067 1.347 . . . . 10.0 111.106 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.253 1.281 0 C-N-CA 129.313 3.045 . . . . 10.0 111.251 -6.207 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.986 -0.446 . . . . 10.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -66.25 -14.67 62.33 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.338 1.607 . . . . 10.0 115.338 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -138.65 160.51 39.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.189 1.396 . . . . 10.0 112.065 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.73 152.32 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.2 t -140.12 150.79 44.71 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.707 1.603 . . . . 10.0 111.266 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.14 78.09 53.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.146 1.778 . . . . 10.0 109.411 -174.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.24 -17.05 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.564 2.843 . . . . 10.0 115.554 -166.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.5 -38.09 76.94 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.044 1.338 . . . . 10.0 112.982 169.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.81 85.98 2.02 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.414 1.485 . . . . 10.0 110.667 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.58 -5.31 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.752 1.221 . . . . 10.0 114.002 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.6 m -130.46 150.14 51.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.507 1.523 . . . . 10.0 111.779 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.492 1.917 . . . . 10.0 112.871 -176.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.568 0.699 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 16' ' ' PHE . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.163 0.506 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CD ' ' H ' ' A' ' 39' ' ' LYS . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.863 0.363 . . . . 10.0 110.654 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 114.89 1.441 . . . . 10.0 114.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.084 0.469 . . . . 10.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 121.1 0.476 . . . . 10.0 110.039 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 8' ' ' LEU . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.556 0.694 . . . . 10.0 112.065 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG13 ' HE3' ' A' ' 30' ' ' LYS . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -63.03 -22.9 67.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.351 1.06 . . . . 10.0 113.612 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.93 165.72 21.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.744 2.017 . . . . 10.0 110.371 166.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 16' ' ' PHE . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -140.02 140.78 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.5 p -132.86 -3.86 3.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.274 2.4 tppp? 112.67 -43.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.567 0 C-N-CA 130.368 3.467 . . . . 10.0 116.532 162.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -75.57 171.37 68.45 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 123.78 2.386 . . . . 10.0 112.801 -11.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.89 12.28 0.71 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.738 1.615 . . . . 10.0 114.784 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 114.4 2.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.004 1.322 . . . . 10.0 112.431 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -140.38 153.78 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.173 1.789 . . . . 10.0 110.912 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 t -60.86 143.86 53.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.815 0.846 . . . . 10.0 112.347 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.1 1.76 . . . . 10.0 111.779 -178.212 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -142.99 39.58 1.48 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.831 1.652 . . . . 10.0 111.37 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -47.34 147.7 1.53 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 140.81 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.8 t -140.72 150.19 43.12 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.365 2.266 . . . . 10.0 106.251 164.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.33 138.09 81.26 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 121.126 -0.984 . . . . 10.0 111.449 -169.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.07 -17.96 6.49 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.619 3.546 . . . . 10.0 117.793 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.27 -21.26 65.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.979 1.312 . . . . 10.0 113.795 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.17 107.17 2.66 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.611 1.164 . . . . 10.0 111.455 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.79 6.41 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 125.297 1.439 . . . . 10.0 113.918 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.7 m -130.33 150.14 51.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.758 1.623 . . . . 10.0 111.916 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.887 1.675 . . . . 10.0 110.92 -177.477 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.875 -0.49 . . . . 10.0 111.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m 53.08 33.1 14.23 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.429 1.491 . . . . 10.0 114.469 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -67.13 164.68 17.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.031 1.332 . . . . 10.0 113.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.66 99.66 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.8 p -141.66 150.42 41.9 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.757 2.023 . . . . 10.0 110.018 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.75 99.1 46.98 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.148 0.979 . . . . 10.0 111.863 -170.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.53 176.92 9.35 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.611 2.874 . . . . 10.0 112.413 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -133.33 159.56 39.92 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.259 1.823 . . . . 10.0 111.126 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.01 99.79 3.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.902 1.281 . . . . 10.0 110.595 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.94 -6.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.335 1.454 . . . . 10.0 113.528 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -132.97 150.2 52.18 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.105 1.762 . . . . 10.0 110.727 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 126.105 1.762 . . . . 10.0 112.233 -175.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.729 -0.549 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -69.39 -6.25 28.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.387 1.995 . . . . 10.0 116.387 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 60.26 163.21 0.06 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 10.0 115.196 -169.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.78 159.21 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.13 118.3 11.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.124 0.97 . . . . 10.0 112.326 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.722 ' H ' ' HA ' ' A' ' 80' ' ' PRO . 46.7 tptt -149.06 -34.33 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 C-N-CA 129.211 3.004 . . . . 10.0 116.642 -12.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.722 ' HA ' ' H ' ' A' ' 79' ' ' LYS . 96.5 Cg_endo -73.08 158.28 98.47 Favored 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 123.842 2.408 . . . . 10.0 113.836 -6.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 58.67 -43.65 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.141 3.377 . . . . 10.0 118.318 173.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 113.02 6.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.863 1.265 . . . . 10.0 112.484 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -140.13 139.43 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.916 1.686 . . . . 10.0 109.122 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -130.46 150.24 51.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.212 1.405 . . . . 10.0 112.286 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.065 1.746 . . . . 10.0 111.78 178.384 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -66.81 -20.93 66.03 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.02 164.9 37.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.756 1.622 . . . . 10.0 111.729 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.14 153.18 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -140.28 172.65 12.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.364 1.866 . . . . 10.0 109.182 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -12.14 112.99 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.617 1.967 . . . . 10.0 114.746 155.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.05 149.74 26.17 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.637 2.891 . . . . 10.0 113.633 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -55.83 -24.32 35.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.772 2.138 . . . . 10.0 116.772 -170.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.77 99.64 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.06 . . . . 10.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.56 155.11 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.067 1.347 . . . . 10.0 111.806 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.9 m -130.48 150.34 51.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.762 1.625 . . . . 10.0 111.988 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 125.666 1.586 . . . . 10.0 113.551 174.694 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.207 -0.357 . . . . 10.0 112.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.56 -0.92 16.63 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.319 1.6 . . . . 10.0 115.319 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.41 6.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.905 1.682 . . . . 10.0 114.419 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CD ' ' H ' ' A' ' 39' ' ' LYS . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.24 119.65 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -145.95 150.07 35.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.288 1.035 . . . . 10.0 112.393 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -154.06 138.08 10.92 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.403 1.481 . . . . 10.0 109.886 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -66.65 -12.85 37.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.761 2.308 . . . . 10.0 114.878 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.94 -27.27 68.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.898 1.279 . . . . 10.0 113.38 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.31 109.26 15.65 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.376 1.07 . . . . 10.0 111.097 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.1 157.21 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.618 1.567 . . . . 10.0 111.744 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 t -131.05 150.25 52.23 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.399 1.479 . . . . 10.0 111.508 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.088 1.755 . . . . 10.0 110.848 -175.024 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -137.37 14.95 2.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.624 1.17 . . . . 10.0 113.732 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.97 165.8 24.5 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.28 1.832 . . . . 10.0 110.654 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.72 156.81 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.72 154.39 46.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.078 1.351 . . . . 10.0 112.084 170.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 64.5 tttp -131.85 -47.17 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.124 1.77 . . . . 10.0 115.029 -174.51 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 83.2 Cg_endo -74.51 162.43 38.09 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 CA-C-N 122.441 1.908 . . . . 10.0 112.737 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -150.37 141.07 22.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.398 1.479 . . . . 10.0 111.336 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 106.24 3.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 10.0 110.925 170.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -136.75 134.44 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.47 1.508 . . . . 10.0 109.983 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -130.65 150.35 51.88 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.802 1.641 . . . . 10.0 111.738 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 126.135 1.774 . . . . 10.0 110.679 179.274 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.469 -1.052 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -150.33 2.63 0.49 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.141 1.377 . . . . 10.0 114.389 -172.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -43.1 135.63 3.13 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 -164.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.85 141.65 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.85 150.84 43.78 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.291 1.436 . . . . 10.0 112.109 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -142.23 138.55 16.76 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 126.009 1.724 . . . . 10.0 110.162 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.24 143.36 64.69 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.728 2.952 . . . . 10.0 114.055 168.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -135.82 7.06 3.21 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.639 1.576 . . . . 10.0 113.666 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.9 4.41 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.53 1.132 . . . . 10.0 112.059 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.13 -11.26 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.939 1.295 . . . . 10.0 113.819 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -60.93 147.77 42.05 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.085 1.354 . . . . 10.0 113.437 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.627 1.571 . . . . 10.0 113.375 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 110.769 -0.932 . . . . 10.0 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -70.26 53.42 0.14 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.42 2.288 . . . . 10.0 113.529 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -58.49 161.35 4.58 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.059 2.144 . . . . 10.0 114.89 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -138.1 140.54 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -140.42 150.53 43.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.421 1.088 . . . . 10.0 112.772 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -145.44 144.86 24.17 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.744 2.018 . . . . 10.0 109.84 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -51.79 -19.83 8.65 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.385 3.39 . . . . 10.0 118.271 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -63.44 -20.63 65.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.44 114.56 3.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.647 1.179 . . . . 10.0 111.972 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.12 -1.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.745 1.218 . . . . 10.0 113.733 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 m -60.42 150.1 32.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.317 1.447 . . . . 10.0 113.679 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.437 1.895 . . . . 10.0 112.791 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.661 -0.575 . . . . 10.0 111.661 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -66.05 -22.4 66.43 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.666 1.358 . . . . 10.0 114.666 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -148.92 165.63 30.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.924 1.689 . . . . 10.0 111.221 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t -138.74 144.71 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 p -140.36 125.82 18.97 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.408 1.883 . . . . 10.0 110.065 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -136.56 153.55 76.09 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 126.296 1.838 . . . . 10.0 110.916 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.54 143.02 55.58 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.027 2.484 . . . . 10.0 112.496 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.06 -30.07 69.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.605 1.162 . . . . 10.0 113.061 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.41 99.93 1.01 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.001 1.32 . . . . 10.0 111.871 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.59 -33.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.947 1.299 . . . . 10.0 112.972 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 p -130.88 150.61 51.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.271 1.829 . . . . 10.0 111.977 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.855 1.662 . . . . 10.0 110.842 -175.747 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 N-CA-C 111.788 -0.525 . . . . 10.0 111.788 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -158.61 -23.77 0.08 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.503 1.521 . . . . 10.0 114.539 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 58.55 146.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.241 2.217 . . . . 10.0 116.309 -170.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.67 137.42 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.9 p -138.98 150.04 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.344 1.458 . . . . 10.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptp 43.46 53.26 9.55 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 125.954 1.702 . . . . 10.0 114.609 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.32 174.15 10.43 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.334 2.69 . . . . 10.0 112.245 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -72.77 55.77 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.218 1.807 . . . . 10.0 112.389 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.13 99.69 1.16 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.929 1.292 . . . . 10.0 111.382 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.0 3.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 125.238 1.415 . . . . 10.0 113.779 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -130.77 150.35 51.99 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.088 1.755 . . . . 10.0 111.423 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.208 1.803 . . . . 10.0 112.227 -178.444 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.036 -0.426 . . . . 10.0 112.036 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m -132.39 7.03 4.17 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.293 1.22 . . . . 10.0 114.293 -171.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -66.49 167.17 11.21 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t -140.35 135.96 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -140.86 158.85 43.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.564 1.146 . . . . 10.0 111.847 165.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 7.3 mmtt -145.14 -44.32 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.762 0 CA-C-O 116.944 -1.503 . . . . 10.0 114.667 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 93.0 Cg_endo -81.16 -19.49 8.0 Favored 'Trans proline' 0 C--N 1.354 0.835 0 CA-C-N 121.836 1.691 . . . . 10.0 114.74 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -148.5 148.08 29.83 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.105 1.762 . . . . 10.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.54 104.08 5.94 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.99 0.916 . . . . 10.0 110.622 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.64 159.98 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 10.0 112.076 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 t -130.92 158.72 39.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.826 1.65 . . . . 10.0 112.33 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.131 1.772 . . . . 10.0 111.134 -174.58 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.838 -0.905 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -24.24 65.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.187 0.995 . . . . 10.0 113.484 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -128.67 166.6 18.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.462 1.905 . . . . 10.0 110.039 169.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 8' ' ' LEU . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.11 160.49 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.3 p -135.83 69.18 1.43 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.615 1.566 . . . . 10.0 109.337 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.83 156.98 70.49 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.569 1.548 . . . . 10.0 112.564 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -74.62 -4.48 15.48 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.904 3.07 . . . . 10.0 115.038 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -58.18 164.28 2.47 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.429 1.492 . . . . 10.0 113.85 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 99.25 5.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.896 1.278 . . . . 10.0 109.844 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.5 t -140.31 144.9 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.357 1.863 . . . . 10.0 109.496 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -130.32 130.94 45.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.067 1.347 . . . . 10.0 111.106 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.253 1.281 0 C-N-CA 129.313 3.045 . . . . 10.0 111.251 -6.207 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.986 -0.446 . . . . 10.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -66.25 -14.67 62.33 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.338 1.607 . . . . 10.0 115.338 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -138.65 160.51 39.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.189 1.396 . . . . 10.0 112.065 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG13 ' HE3' ' A' ' 30' ' ' LYS . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.73 152.32 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.2 t -140.12 150.79 44.71 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.707 1.603 . . . . 10.0 111.266 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.14 78.09 53.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.146 1.778 . . . . 10.0 109.411 -174.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.24 -17.05 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.564 2.843 . . . . 10.0 115.554 -166.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.5 -38.09 76.94 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.044 1.338 . . . . 10.0 112.982 169.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.81 85.98 2.02 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.414 1.485 . . . . 10.0 110.667 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.58 -5.31 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.752 1.221 . . . . 10.0 114.002 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.6 m -130.46 150.14 51.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.507 1.523 . . . . 10.0 111.779 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.492 1.917 . . . . 10.0 112.871 -176.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 CA-C-O 121.568 0.699 . . . . 10.0 110.371 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 16' ' ' PHE . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t . . . . . 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t . . . . . 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 113.548 0.944 . . . . 10.0 113.548 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 . . . . . 0 CA--C 1.546 0.817 0 N-CA-C 115.196 1.554 . . . . 10.0 115.196 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 . . . . . 0 CA--C 1.541 0.599 0 CA-C-O 121.163 0.506 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m . . . . . 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 N-CA-C 114.419 1.266 . . . . 10.0 114.419 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CD ' ' H ' ' A' ' 39' ' ' LYS . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.543 0.692 0 CA-C-O 120.863 0.363 . . . . 10.0 110.654 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 . . . . . 0 CA--C 1.541 0.62 0 N-CA-C 114.89 1.441 . . . . 10.0 114.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t . . . . . 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 . . . . . 0 CA--C 1.54 0.59 0 CA-C-O 121.084 0.469 . . . . 10.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 CA--C 1.547 0.864 0 N-CA-C 116.309 1.966 . . . . 10.0 116.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t . . . . . 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 . . . . . 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 . . . . . 0 CA--C 1.542 0.661 0 CA-C-O 121.1 0.476 . . . . 10.0 110.039 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 8' ' ' LEU . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 . . . . . 0 CA--C 1.54 0.578 0 CA-C-O 121.556 0.694 . . . . 10.0 112.065 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.408 HG13 ' HE3' ' A' ' 30' ' ' LYS . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 110.958 -0.857 . . . . 10.0 110.958 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 p -63.03 -22.9 67.18 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.351 1.06 . . . . 10.0 113.612 171.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -129.93 165.72 21.5 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.744 2.017 . . . . 10.0 110.371 166.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -140.25 151.87 45.48 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 127.779 2.432 . . . . 10.0 109.047 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -111.28 150.39 29.72 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.545 0.942 . . . . 10.0 113.545 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.75 150.37 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 124.451 1.1 . . . . 10.0 110.146 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.5 m -99.83 126.5 45.94 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.416 1.087 . . . . 10.0 109.484 174.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 HD12 ' CE2' ' A' ' 16' ' ' PHE . 16.2 mt -119.91 125.23 47.96 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.177 0.991 . . . . 10.0 112.144 -172.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.8 mttm -99.34 161.43 13.62 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.748 1.619 . . . . 10.0 109.928 169.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 p -136.0 166.0 24.36 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 121.549 0.69 . . . . 10.0 112.117 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -62.77 1.99 0.34 Allowed 'General case' 0 CA--C 1.553 1.094 0 N-CA-C 115.315 1.598 . . . . 10.0 115.315 166.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -119.62 35.53 4.81 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.807 2.043 . . . . 10.0 111.909 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 55.13 40.26 31.76 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.518 1.927 . . . . 10.0 114.95 164.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -140.88 163.36 33.16 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.81 1.644 . . . . 10.0 111.115 -177.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.8 m -138.69 144.18 39.48 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.983 0.913 . . . . 10.0 111.163 175.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.473 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 52.1 p90 -142.64 176.49 9.0 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.266 1.426 . . . . 10.0 112.725 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -131.61 126.62 35.19 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 127.875 2.47 . . . . 10.0 108.904 -172.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.41 166.01 20.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 124.969 1.307 . . . . 10.0 111.505 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.31 136.13 32.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.577 1.151 . . . . 10.0 112.557 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.39 170.02 6.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 127.028 2.131 . . . . 10.0 110.628 -178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -66.95 119.45 64.11 Favored Pre-proline 0 CA--C 1.555 1.156 0 O-C-N 120.59 -1.319 . . . . 10.0 110.851 170.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -67.77 -12.4 35.3 Favored 'Trans proline' 0 CA--C 1.54 0.778 0 C-N-CA 123.264 2.642 . . . . 10.0 114.99 -176.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -92.93 -3.04 55.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.158 0.983 . . . . 10.0 113.3 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -76.94 162.49 27.54 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.119 -0.988 . . . . 10.0 111.136 165.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -78.74 170.65 16.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.752 0.786 . . . . 10.0 112.184 175.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.3 t -50.97 -29.41 7.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.948 0.899 . . . . 10.0 112.74 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -52.79 -40.36 63.15 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.27 1.028 . . . . 10.0 112.664 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -49.46 65.29 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.734 0.813 . . . . 10.0 112.808 176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.62 -32.69 73.76 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.914 1.685 . . . . 10.0 112.198 177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -81.64 -38.71 25.52 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.565 1.546 . . . . 10.0 113.932 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 86.3 mt-10 -64.88 -41.24 95.79 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 112.741 0.645 . . . . 10.0 112.741 173.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.34 -26.78 68.19 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 114.805 1.409 . . . . 10.0 114.805 -171.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.35 -26.67 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 CA-C-N 119.079 0.854 . . . . 10.0 112.718 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.35 -33.36 73.5 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 121.253 -0.904 . . . . 10.0 111.272 170.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.4 m -62.89 -23.0 67.12 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.627 0.973 . . . . 10.0 113.627 173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -100.81 -33.97 10.01 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.084 1.354 . . . . 10.0 113.98 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.473 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.9 mttm -122.04 -8.59 8.8 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.435 1.272 . . . . 10.0 114.435 -170.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.56 149.85 24.46 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.61 1.576 . . . . 10.0 116.072 161.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.8 tppp? -51.81 -32.68 32.42 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 127.173 2.189 . . . . 10.0 113.174 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -71.0 -13.93 62.17 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.09 1.756 . . . . 10.0 114.954 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.08 -26.78 1.68 Allowed 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 114.494 1.294 . . . . 10.0 114.494 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -137.79 59.5 20.02 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 125.002 1.321 . . . . 10.0 111.957 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -62.93 122.96 11.43 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 123.665 2.91 . . . . 10.0 112.339 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 t -52.25 -40.65 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 C-N-CA 125.348 1.459 . . . . 10.0 113.905 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -12.09 59.07 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.575 1.324 . . . . 10.0 114.575 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.64 30.08 1.97 Allowed Glycine 0 CA--C 1.525 0.716 0 C-N-CA 125.595 1.569 . . . . 10.0 113.815 -171.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -126.64 155.25 42.87 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.23 1.015 . . . . 10.0 113.108 169.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.8 mttm -139.75 159.89 41.14 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 127.825 2.45 . . . . 10.0 110.377 -165.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -139.31 148.74 43.38 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.106 0.963 . . . . 10.0 112.978 -176.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.3 mm -136.46 132.2 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 126.898 2.079 . . . . 10.0 110.291 -178.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -102.49 78.88 1.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 O-C-N 121.593 -0.692 . . . . 10.0 110.933 171.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.19 26.57 6.82 Favored 'General case' 0 CA--C 1.554 1.113 0 C-N-CA 126.472 1.909 . . . . 10.0 115.52 178.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 133.86 -8.95 4.87 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 125.393 1.473 . . . . 10.0 114.568 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.4 mttp -99.85 139.55 35.34 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.856 1.663 . . . . 10.0 109.717 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.2 mt -99.54 102.71 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 C-N-CA 124.137 0.975 . . . . 10.0 108.542 -170.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 mt -78.43 156.74 29.25 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.065 0.946 . . . . 10.0 111.825 -171.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -130.36 127.1 38.72 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.912 1.285 . . . . 10.0 113.171 -166.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -63.9 -4.94 3.7 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.622 1.341 . . . . 10.0 114.622 177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -120.56 11.42 11.31 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 126.024 1.73 . . . . 10.0 113.475 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 77.6 m -129.57 135.46 48.6 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.799 1.24 . . . . 10.0 110.575 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.27 143.44 55.25 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.275 1.43 . . . . 10.0 113.648 -173.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 52.0 mt -59.14 -37.35 77.05 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 114.57 1.322 . . . . 10.0 114.57 -168.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -22.19 65.79 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 115.415 1.635 . . . . 10.0 115.415 176.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -77.82 -14.44 59.57 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 119.334 0.97 . . . . 10.0 113.421 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -85.83 -5.77 59.19 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 112.775 0.657 . . . . 10.0 112.775 166.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 49.41 44.84 23.99 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 127.173 2.189 . . . . 10.0 113.875 -175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 153.29 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.745 0.818 . . . . 10.0 109.949 175.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -136.73 143.81 43.52 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.488 1.115 . . . . 10.0 112.559 -170.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -59.71 -19.6 50.9 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.47 1.508 . . . . 10.0 114.456 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -106.51 6.69 30.37 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.939 1.696 . . . . 10.0 112.788 -178.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -122.05 175.7 6.2 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 125.202 1.401 . . . . 10.0 110.416 173.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -133.49 160.5 37.24 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 114.187 1.18 . . . . 10.0 114.187 -176.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 29.8 t -125.39 150.25 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 128.635 2.774 . . . . 10.0 107.28 -175.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.6 t -117.9 130.92 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.586 1.154 . . . . 10.0 109.731 -174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.8 m -102.91 145.31 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 124.343 1.057 . . . . 10.0 111.0 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 61.8 mtt -138.45 160.03 40.58 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.859 1.663 . . . . 10.0 110.156 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 61.6 t -140.02 140.78 35.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.897 0.879 . . . . 10.0 111.114 -170.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 76.5 p -132.86 -3.86 3.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 114.76 1.393 . . . . 10.0 114.76 177.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.274 2.4 tppp? 112.67 -43.14 0.0 OUTLIER Pre-proline 0 N--CA 1.49 1.567 0 C-N-CA 130.368 3.467 . . . . 10.0 116.532 162.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -75.57 171.37 68.45 Favored 'Cis proline' 0 CA--C 1.542 0.908 0 CA-C-N 123.78 2.386 . . . . 10.0 112.801 -11.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -73.89 12.28 0.71 Allowed 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 125.738 1.615 . . . . 10.0 114.784 175.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 114.4 2.75 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.004 1.322 . . . . 10.0 112.431 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.5 p -140.38 153.78 22.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 126.173 1.789 . . . . 10.0 110.912 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 14.6 t -60.86 143.86 53.96 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.815 0.846 . . . . 10.0 112.347 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.1 1.76 . . . . 10.0 111.779 -178.212 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 m -142.99 39.58 1.48 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.831 1.652 . . . . 10.0 111.37 -168.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -47.34 147.7 1.53 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.735 1.754 . . . . 10.0 115.735 -168.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.9 ptt? -131.93 156.8 45.51 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.274 1.83 . . . . 10.0 109.823 169.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -99.84 150.44 22.35 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 112.921 0.711 . . . . 10.0 112.921 178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.4 t -134.21 146.15 31.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 123.967 0.907 . . . . 10.0 109.98 177.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -99.97 126.59 46.16 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.175 1.39 . . . . 10.0 109.964 177.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.0 mt -121.53 122.18 39.12 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.228 1.411 . . . . 10.0 111.176 -171.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -99.32 166.43 11.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.224 1.81 . . . . 10.0 110.167 170.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 65.2 p -137.94 156.27 48.04 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.224 0.609 . . . . 10.0 112.192 -174.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -59.16 -23.56 62.3 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 113.41 0.893 . . . . 10.0 113.41 165.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -80.63 8.85 7.04 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 126.772 2.029 . . . . 10.0 112.615 171.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 60.85 45.98 9.2 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 127.398 2.279 . . . . 10.0 113.951 167.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -119.68 173.76 6.82 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.786 1.634 . . . . 10.0 109.579 173.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.42 143.8 35.81 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.256 0.623 . . . . 10.0 111.616 163.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -146.24 170.44 16.75 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.229 1.412 . . . . 10.0 111.421 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -134.35 134.31 41.62 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 126.088 1.755 . . . . 10.0 110.836 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.62 172.73 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 127.29 2.236 . . . . 10.0 110.399 -173.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -140.31 137.77 34.41 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.207 0.912 . . . . 10.0 112.363 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.38 167.82 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 126.502 1.921 . . . . 10.0 110.453 177.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -71.54 130.66 87.11 Favored Pre-proline 0 CA--C 1.553 1.071 0 O-C-N 120.705 -1.247 . . . . 10.0 112.062 176.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_exo -53.02 -28.17 39.16 Favored 'Trans proline' 0 CA--C 1.542 0.899 0 C-N-CA 124.094 3.196 . . . . 10.0 115.511 176.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -85.57 -9.32 57.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.455 1.102 . . . . 10.0 113.94 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -77.52 151.92 34.33 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.737 1.153 . . . . 10.0 111.236 175.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 73.7 p -75.27 164.36 26.53 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.522 1.129 . . . . 10.0 112.207 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -59.69 -27.44 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.041 0 O-C-N 121.352 -0.843 . . . . 10.0 112.093 -178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -51.11 -36.5 40.81 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.903 1.075 . . . . 10.0 113.903 170.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.92 -47.99 48.61 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 120.225 1.375 . . . . 10.0 112.612 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.17 -34.75 72.49 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.322 1.449 . . . . 10.0 112.606 173.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.93 -37.31 29.75 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.036 1.334 . . . . 10.0 114.057 177.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -68.51 -37.72 80.29 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.704 1.138 . . . . 10.0 112.418 176.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.75 65.49 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 114.649 1.352 . . . . 10.0 114.649 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 pp -80.34 -29.43 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 119.0 0.818 . . . . 10.0 112.291 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -59.55 -33.3 71.24 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 121.248 -0.908 . . . . 10.0 111.382 173.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.5 m -62.47 -21.48 65.49 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.933 1.086 . . . . 10.0 113.933 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -100.37 -44.11 6.02 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.022 1.329 . . . . 10.0 112.714 178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -99.68 -17.2 17.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.121 0.968 . . . . 10.0 113.451 -166.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.76 142.73 5.19 Favored Glycine 0 CA--C 1.532 1.149 0 C-N-CA 125.935 1.731 . . . . 10.0 113.311 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -21.59 65.72 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 113.721 1.008 . . . . 10.0 113.721 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -76.06 -5.09 44.86 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.118 0.967 . . . . 10.0 113.608 177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.69 -28.7 3.23 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.169 1.387 . . . . 10.0 113.189 173.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -140.32 72.97 31.61 Favored Pre-proline 0 CA--C 1.549 0.931 0 C-N-CA 125.36 1.464 . . . . 10.0 111.29 175.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -66.73 125.17 13.34 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 123.374 2.716 . . . . 10.0 111.596 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.2 t -55.59 -36.14 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 O-C-N 121.213 -0.929 . . . . 10.0 112.926 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.76 -5.22 23.82 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.411 1.634 . . . . 10.0 115.411 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -141.46 -17.1 0.37 Allowed Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.055 1.182 . . . . 10.0 116.055 -174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -78.7 149.34 32.8 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 119.474 1.637 . . . . 10.0 113.205 176.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -140.05 160.37 40.08 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 128.003 2.521 . . . . 10.0 110.077 -175.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -135.85 153.24 51.55 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.133 0.973 . . . . 10.0 112.778 -176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.6 mm -135.2 134.62 52.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.725 0 C-N-CA 127.082 2.153 . . . . 10.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -107.26 84.4 1.97 Allowed 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.875 0.87 . . . . 10.0 110.406 169.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.96 23.72 1.16 Allowed 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 126.955 2.102 . . . . 10.0 116.327 176.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 134.59 -10.0 4.62 Favored Glycine 0 CA--C 1.536 1.391 0 C-N-CA 125.225 1.393 . . . . 10.0 114.897 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.83 144.81 28.45 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.955 1.302 . . . . 10.0 109.744 177.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.7 mp -99.16 112.52 31.56 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 N-CA-C 106.687 -1.598 . . . . 10.0 106.687 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 24.5 mt -76.6 93.99 3.68 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.235 1.014 . . . . 10.0 110.228 -175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.55 130.17 43.25 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.741 1.616 . . . . 10.0 112.122 -174.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -56.75 -30.56 63.71 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.691 1.367 . . . . 10.0 114.691 -172.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -109.47 11.47 24.97 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.43 1.492 . . . . 10.0 113.892 -171.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 90.9 m -117.93 141.72 48.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.415 1.086 . . . . 10.0 110.797 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.69 143.34 53.16 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.817 1.247 . . . . 10.0 114.277 -170.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -47.7 -41.43 22.69 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 126.652 1.981 . . . . 10.0 115.765 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -22.83 66.32 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.028 1.492 . . . . 10.0 115.028 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -67.92 -27.35 66.55 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.147 0.979 . . . . 10.0 112.075 -176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -84.19 -7.07 59.46 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.678 1.191 . . . . 10.0 112.975 175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp 52.01 47.95 23.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 127.24 2.216 . . . . 10.0 113.295 -176.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 5.0 mt -66.48 146.47 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 123.507 0.723 . . . . 10.0 109.936 175.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -125.06 141.99 51.77 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.892 1.277 . . . . 10.0 112.252 -173.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -66.25 -11.59 51.13 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 115.656 1.724 . . . . 10.0 115.656 -170.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 6.18 11.05 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.916 1.287 . . . . 10.0 113.891 174.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 65.6 m-20 -99.05 175.35 5.94 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.809 1.244 . . . . 10.0 108.999 168.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -135.83 160.5 38.37 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 115.105 1.52 . . . . 10.0 115.105 -178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.1 t -123.29 150.38 27.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 129.541 3.136 . . . . 10.0 107.494 -173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 44.5 t -116.29 127.64 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.859 0 C-N-CA 124.676 1.19 . . . . 10.0 110.038 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.2 t -99.68 138.52 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 125.5 1.52 . . . . 10.0 109.794 177.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.1 mtt -130.95 156.83 44.43 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.928 2.091 . . . . 10.0 109.66 -176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 58.4 t -139.92 140.81 35.26 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 123.962 0.905 . . . . 10.0 110.923 -173.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.8 t -140.72 150.19 43.12 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 127.365 2.266 . . . . 10.0 106.251 164.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -72.33 138.09 81.26 Favored Pre-proline 0 CA--C 1.546 0.804 0 O-C-N 121.126 -0.984 . . . . 10.0 111.449 -169.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -52.07 -17.96 6.49 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 124.619 3.546 . . . . 10.0 117.793 -177.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.27 -21.26 65.06 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.979 1.312 . . . . 10.0 113.795 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.17 107.17 2.66 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 124.611 1.164 . . . . 10.0 111.455 172.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.3 m -131.79 6.41 1.75 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 C-N-CA 125.297 1.439 . . . . 10.0 113.918 -175.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 56.7 m -130.33 150.14 51.7 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.758 1.623 . . . . 10.0 111.916 -177.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 27.1 m . . . . . 0 C--O 1.253 1.245 0 C-N-CA 125.887 1.675 . . . . 10.0 110.92 -177.477 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.649 0 N-CA-C 111.875 -0.49 . . . . 10.0 111.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m 53.08 33.1 14.23 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 125.429 1.491 . . . . 10.0 114.469 -177.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -67.13 164.68 17.51 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.031 1.332 . . . . 10.0 113.548 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptm -107.68 160.45 15.69 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.176 1.391 . . . . 10.0 109.309 157.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -116.88 150.0 39.16 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.294 0.638 . . . . 10.0 112.009 174.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.7 t -135.95 144.19 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.401 1.08 . . . . 10.0 109.868 -172.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 34.5 m -108.53 128.21 54.61 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.762 1.225 . . . . 10.0 110.897 -178.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.6 mt -122.25 121.7 37.4 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.141 1.776 . . . . 10.0 111.379 -166.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -99.67 139.64 35.03 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.257 1.423 . . . . 10.0 111.307 174.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 40.1 p -101.39 160.55 14.32 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.1 0.96 . . . . 10.0 112.747 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.61 -26.37 66.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.519 0.728 . . . . 10.0 112.403 168.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -79.68 6.06 11.71 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.643 1.977 . . . . 10.0 113.707 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 63.83 48.47 3.19 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.969 1.708 . . . . 10.0 113.582 176.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -128.06 155.28 44.61 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.894 2.078 . . . . 10.0 108.359 175.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.56 144.86 50.69 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.136 0.574 . . . . 10.0 111.348 177.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 34.6 p90 -149.29 163.97 36.18 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 126.042 1.737 . . . . 10.0 109.247 176.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.0 ptmt -140.72 141.7 34.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 124.058 0.943 . . . . 10.0 113.099 178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.77 170.68 13.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 C-N-CA 127.864 2.466 . . . . 10.0 110.345 -167.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -138.04 137.14 37.53 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 123.837 0.855 . . . . 10.0 112.707 -173.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.31 164.57 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 127.438 2.295 . . . . 10.0 110.609 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -61.15 131.61 92.13 Favored Pre-proline 0 CA--C 1.555 1.14 0 O-C-N 120.37 -1.456 . . . . 10.0 111.856 173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.64 -17.67 57.3 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.421 2.747 . . . . 10.0 115.081 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -106.57 4.3 27.92 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.952 1.301 . . . . 10.0 112.888 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.77 162.67 29.2 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.342 -0.849 . . . . 10.0 110.447 161.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 62.7 p -86.91 171.1 11.06 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.717 0.807 . . . . 10.0 112.251 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.3 t -53.17 -26.73 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 123.772 0.829 . . . . 10.0 112.959 173.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -49.8 -45.69 50.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.469 1.108 . . . . 10.0 112.615 172.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -49.08 70.46 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 118.751 0.705 . . . . 10.0 112.578 178.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 27.8 tp -62.48 -39.52 93.72 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.163 1.785 . . . . 10.0 112.174 179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.78 -27.33 28.93 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.447 1.277 . . . . 10.0 114.447 -179.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 84.6 mt-10 -72.25 -43.3 64.54 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.121 0.873 . . . . 10.0 112.133 170.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.26 71.44 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.1 pp -78.09 -18.32 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 N-CA-C 113.592 0.96 . . . . 10.0 113.592 -178.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.83 -37.66 74.22 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.331 -0.856 . . . . 10.0 111.057 164.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.7 m -74.85 -14.76 60.71 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 114.005 1.113 . . . . 10.0 114.005 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 -91.43 -31.91 15.82 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.283 -0.886 . . . . 10.0 112.81 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.7 mttm -132.54 -9.76 3.21 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.808 1.41 . . . . 10.0 114.808 -169.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.44 139.15 9.91 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 125.435 1.493 . . . . 10.0 114.336 165.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -47.04 -35.45 6.83 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 127.467 2.307 . . . . 10.0 114.031 171.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.13 -15.79 63.74 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.068 1.747 . . . . 10.0 115.455 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.25 -19.59 1.69 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.634 1.346 . . . . 10.0 114.634 -178.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -136.77 57.81 17.18 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 126.343 1.857 . . . . 10.0 111.783 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -73.03 133.54 19.92 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.701 2.934 . . . . 10.0 112.961 -177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 13.6 p -50.46 -47.27 26.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 125.072 1.349 . . . . 10.0 113.719 178.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.85 -9.31 58.14 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.267 1.427 . . . . 10.0 114.285 -175.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -134.72 25.53 3.39 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 125.226 1.393 . . . . 10.0 113.465 -173.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -138.62 152.19 47.9 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.794 1.405 . . . . 10.0 114.794 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -140.33 158.97 43.2 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 127.234 2.214 . . . . 10.0 111.11 -167.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -126.61 151.69 47.66 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.955 1.702 . . . . 10.0 112.11 -178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 14.0 mm -135.8 136.6 50.01 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 126.512 1.925 . . . . 10.0 109.655 171.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -113.93 86.08 2.34 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.821 0.848 . . . . 10.0 110.48 172.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.54 24.13 2.15 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.902 2.081 . . . . 10.0 115.912 176.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.63 -5.74 6.6 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 125.231 1.396 . . . . 10.0 114.799 -178.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -99.75 139.32 35.59 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.997 1.319 . . . . 10.0 109.536 178.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 61.3 mt -99.85 89.8 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 C-N-CA 124.291 1.036 . . . . 10.0 108.536 -171.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.8 mp -58.73 136.9 57.85 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.514 1.526 . . . . 10.0 112.092 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -130.76 133.65 46.19 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.695 1.198 . . . . 10.0 113.575 -165.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -63.83 -18.9 64.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 116.472 2.027 . . . . 10.0 116.472 -172.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -113.25 17.94 18.24 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 124.846 1.258 . . . . 10.0 114.072 177.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 64.8 m -120.07 132.81 55.58 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.713 1.605 . . . . 10.0 110.01 176.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -71.53 142.69 50.09 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.811 0.844 . . . . 10.0 112.267 -175.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.7 mt -60.71 -37.25 81.06 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 114.339 1.237 . . . . 10.0 114.339 -169.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -17.62 62.9 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.093 1.516 . . . . 10.0 115.093 174.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -71.39 -23.44 61.88 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.585 1.084 . . . . 10.0 111.965 172.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 69.0 m-85 -87.92 -5.21 58.67 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.569 1.148 . . . . 10.0 113.353 172.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt 48.75 42.41 19.7 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 127.022 2.129 . . . . 10.0 113.48 -179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 12.0 mt -65.66 151.63 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 124.561 1.144 . . . . 10.0 109.93 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -132.66 149.46 52.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.188 1.395 . . . . 10.0 111.684 -172.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -74.43 -8.85 57.66 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.436 1.643 . . . . 10.0 115.436 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . 0.25 0.4 OUTLIER -129.95 11.5 5.59 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 125.088 1.355 . . . . 10.0 113.974 175.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -99.91 176.5 5.41 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.251 1.02 . . . . 10.0 109.023 152.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -139.99 160.58 39.6 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.698 0.999 . . . . 10.0 113.698 -178.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -128.21 150.56 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.475 0 C-N-CA 128.277 2.631 . . . . 10.0 108.074 -176.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.7 t -99.73 133.5 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 O-C-N 121.167 -0.958 . . . . 10.0 109.65 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 4.3 m -99.56 138.93 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.238 1.415 . . . . 10.0 109.881 168.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.9 mtt -135.78 157.12 47.63 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.635 1.574 . . . . 10.0 110.454 -174.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.9 t -116.66 99.66 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 124.008 0.923 . . . . 10.0 109.156 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.8 p -141.66 150.42 41.9 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 126.757 2.023 . . . . 10.0 110.018 176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -112.75 99.1 46.98 Favored Pre-proline 0 N--CA 1.474 0.744 0 C-N-CA 124.148 0.979 . . . . 10.0 111.863 -170.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -75.53 176.92 9.35 Favored 'Trans proline' 0 CA--C 1.543 0.934 0 C-N-CA 123.611 2.874 . . . . 10.0 112.413 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -133.33 159.56 39.92 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.259 1.823 . . . . 10.0 111.126 175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -139.01 99.79 3.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.902 1.281 . . . . 10.0 110.595 -176.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 35.3 m -119.94 -6.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 C-N-CA 125.335 1.454 . . . . 10.0 113.528 -179.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.2 t -132.97 150.2 52.18 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 126.105 1.762 . . . . 10.0 110.727 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 22.3 p . . . . . 0 N--CA 1.483 1.186 0 C-N-CA 126.105 1.762 . . . . 10.0 112.233 -175.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.512 0 N-CA-C 111.729 -0.549 . . . . 10.0 111.729 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 m -69.39 -6.25 28.8 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.387 1.995 . . . . 10.0 116.387 -169.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.0 m170 60.26 163.21 0.06 Allowed 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 126.95 2.1 . . . . 10.0 115.196 -169.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 13.2 tpt -140.47 151.15 44.61 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 127.851 2.461 . . . . 10.0 108.833 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -119.08 148.85 42.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.782 0.833 . . . . 10.0 112.19 -177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 t -138.96 150.17 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 123.551 0.741 . . . . 10.0 110.645 -173.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 86.7 m -100.54 126.64 47.01 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.672 1.189 . . . . 10.0 109.484 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.415 HD12 ' CE2' ' A' ' 16' ' ' PHE . 14.0 mt -120.11 122.0 40.07 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.478 1.111 . . . . 10.0 111.466 -171.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.71 139.12 35.83 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.537 1.535 . . . . 10.0 110.773 173.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 30.4 p -99.89 156.71 16.99 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.003 0.921 . . . . 10.0 111.246 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -59.14 -20.3 52.49 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.858 1.059 . . . . 10.0 113.858 167.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -81.88 8.28 10.75 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.314 1.845 . . . . 10.0 113.136 175.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 62.21 53.67 2.83 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 126.391 1.876 . . . . 10.0 113.37 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -135.08 150.34 50.23 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 126.718 2.007 . . . . 10.0 108.036 176.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 m -133.57 142.35 48.12 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.184 0.594 . . . . 10.0 111.662 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 49.2 p90 -144.97 171.98 13.68 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.99 1.316 . . . . 10.0 112.279 -178.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -128.94 127.05 40.93 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 127.19 2.196 . . . . 10.0 109.191 -171.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.32 169.23 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 125.244 1.418 . . . . 10.0 111.766 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -140.33 139.86 35.51 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.526 1.13 . . . . 10.0 111.96 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.59 170.31 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 127.511 2.324 . . . . 10.0 109.911 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -72.59 128.99 87.68 Favored Pre-proline 0 CA--C 1.552 1.048 0 O-C-N 120.155 -1.591 . . . . 10.0 111.764 171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -68.76 -12.13 33.73 Favored 'Trans proline' 0 C--N 1.353 0.783 0 C-N-CA 123.196 2.597 . . . . 10.0 114.834 -174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -100.94 3.05 41.36 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 121.039 -1.038 . . . . 10.0 113.49 175.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -73.67 160.88 30.92 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.252 -0.905 . . . . 10.0 110.458 160.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -81.12 169.77 17.01 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 121.586 -0.697 . . . . 10.0 112.129 175.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.9 t -56.03 -28.55 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 O-C-N 121.462 -0.774 . . . . 10.0 112.186 177.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -49.3 -44.0 43.81 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.345 0.975 . . . . 10.0 112.753 173.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -52.08 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 119.537 1.062 . . . . 10.0 112.635 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -59.75 -34.72 73.32 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 126.367 1.867 . . . . 10.0 113.316 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -80.91 -38.29 28.19 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.288 1.435 . . . . 10.0 114.276 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -69.5 -38.67 77.73 Favored 'General case' 0 N--CA 1.47 0.543 0 O-C-N 121.343 -0.848 . . . . 10.0 112.493 175.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.72 70.19 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.393 1.257 . . . . 10.0 114.393 -174.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 pp -80.23 -27.07 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.998 0.817 . . . . 10.0 112.58 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -61.36 -36.82 81.28 Favored 'General case' 0 N--CA 1.475 0.788 0 O-C-N 121.346 -0.846 . . . . 10.0 110.98 169.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.7 m -64.3 -20.75 66.29 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.781 1.03 . . . . 10.0 113.781 174.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -100.67 -32.84 10.54 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.976 1.31 . . . . 10.0 114.04 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.7 mttm -121.83 -9.43 8.82 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.719 1.208 . . . . 10.0 114.203 -170.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.22 146.88 8.75 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 125.969 1.747 . . . . 10.0 114.71 171.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.33 -18.1 65.04 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.655 0.983 . . . . 10.0 113.655 176.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -63.44 -19.84 65.06 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.104 1.362 . . . . 10.0 113.413 173.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.43 -22.97 3.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.912 1.285 . . . . 10.0 113.859 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.46 62.4 23.93 Favored Pre-proline 0 CA--C 1.549 0.938 0 C-N-CA 125.079 1.352 . . . . 10.0 111.792 -178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.6 126.0 15.34 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 123.266 2.644 . . . . 10.0 111.536 -177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 10.4 t -56.36 -39.13 58.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.313 1.045 . . . . 10.0 113.545 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.38 -5.65 43.59 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.978 1.311 . . . . 10.0 114.367 176.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -138.47 20.99 3.11 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.455 1.502 . . . . 10.0 114.007 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -124.02 151.02 44.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 118.569 1.184 . . . . 10.0 113.775 174.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -140.11 158.38 44.14 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 128.036 2.534 . . . . 10.0 110.564 -170.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.9 mp -137.22 150.02 47.59 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.905 1.282 . . . . 10.0 113.619 -170.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.1 mm -133.96 143.06 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 127.607 2.363 . . . . 10.0 109.216 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -125.21 93.12 3.78 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 123.967 0.907 . . . . 10.0 111.077 170.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 52.49 22.66 2.22 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 116.248 1.944 . . . . 10.0 116.248 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.69 -3.14 5.35 Favored Glycine 0 CA--C 1.537 1.464 0 C-N-CA 124.582 1.086 . . . . 10.0 115.61 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -124.1 153.72 41.04 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.081 1.441 . . . . 10.0 111.449 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.6 122.95 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 124.193 0.997 . . . . 10.0 108.328 -172.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -80.1 145.52 32.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.762 1.225 . . . . 10.0 111.453 177.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -130.32 133.86 46.76 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.948 1.299 . . . . 10.0 113.434 -171.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -56.79 -23.77 45.79 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 126.698 1.999 . . . . 10.0 115.778 -172.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -118.26 14.99 13.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.891 1.276 . . . . 10.0 113.792 -177.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 92.9 m -110.0 133.89 52.7 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 125.617 1.567 . . . . 10.0 109.555 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.12 141.83 52.65 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.287 0.635 . . . . 10.0 112.104 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.2 mt -59.33 -37.14 77.05 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.608 0.966 . . . . 10.0 113.608 -171.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -19.75 65.39 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.762 1.393 . . . . 10.0 114.762 174.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -71.43 -22.62 61.82 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 119.639 1.109 . . . . 10.0 111.69 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -86.88 -4.86 59.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.774 1.23 . . . . 10.0 113.531 171.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt 49.54 42.71 23.29 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.252 2.221 . . . . 10.0 113.576 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.2 mt -61.58 146.17 12.23 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.629 0 C-N-CA 124.953 1.301 . . . . 10.0 110.844 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -130.25 136.7 49.47 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.801 1.64 . . . . 10.0 111.167 -175.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -69.35 -13.58 62.45 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 115.199 1.555 . . . . 10.0 115.199 -173.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -100.23 -8.49 23.46 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.887 1.275 . . . . 10.0 112.177 178.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.82 -179.29 4.13 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.622 1.969 . . . . 10.0 109.661 167.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.9 p90 -136.94 160.02 40.16 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 114.083 1.142 . . . . 10.0 114.083 179.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -112.57 150.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 128.782 2.833 . . . . 10.0 107.492 178.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 40.8 t -115.34 135.77 54.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 C-N-CA 124.627 1.171 . . . . 10.0 109.261 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.6 m -117.65 135.27 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.301 1.44 . . . . 10.0 110.513 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 84.4 mtp -138.27 160.35 39.68 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.93 1.292 . . . . 10.0 111.119 -174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 30.4 m -128.78 159.21 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.539 0 C-N-CA 124.85 1.26 . . . . 10.0 112.277 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.13 118.3 11.98 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.124 0.97 . . . . 10.0 112.326 172.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.722 ' H ' ' HA ' ' A' ' 80' ' ' PRO . 46.7 tptt -149.06 -34.33 0.0 OUTLIER Pre-proline 0 N--CA 1.482 1.154 0 C-N-CA 129.211 3.004 . . . . 10.0 116.642 -12.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.722 ' HA ' ' H ' ' A' ' 79' ' ' LYS . 96.5 Cg_endo -73.08 158.28 98.47 Favored 'Cis proline' 0 C--N 1.357 1.009 0 CA-C-N 123.842 2.408 . . . . 10.0 113.836 -6.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt 58.67 -43.65 0.06 Allowed 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 130.141 3.377 . . . . 10.0 118.318 173.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.0 113.02 6.01 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.863 1.265 . . . . 10.0 112.484 -175.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 60.6 t -140.13 139.43 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 125.916 1.686 . . . . 10.0 109.122 176.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 m -130.46 150.24 51.76 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.212 1.405 . . . . 10.0 112.286 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.251 1.174 0 C-N-CA 126.065 1.746 . . . . 10.0 111.78 178.384 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.579 -0.608 . . . . 10.0 111.579 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -66.81 -20.93 66.03 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.751 1.389 . . . . 10.0 114.751 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -153.02 164.9 37.13 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.756 1.622 . . . . 10.0 111.729 -176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.7 ptm -138.52 152.68 48.45 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.526 1.531 . . . . 10.0 109.825 166.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -112.27 142.49 44.7 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.605 1.162 . . . . 10.0 111.049 -176.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -139.73 146.69 24.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 125.086 1.354 . . . . 10.0 109.662 -176.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 64.3 m -99.37 126.39 45.23 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 126.242 1.817 . . . . 10.0 108.716 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.9 mt -121.58 128.06 51.57 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 125.024 1.33 . . . . 10.0 109.624 -169.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -115.82 150.81 36.37 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.027 0.931 . . . . 10.0 112.26 174.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 73.3 p -100.01 162.81 12.74 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.851 0.834 . . . . 10.0 112.738 -170.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -59.46 0.97 0.1 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.445 1.498 . . . . 10.0 114.903 161.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -122.78 19.58 10.21 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 127.134 2.174 . . . . 10.0 111.668 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.6 mp0 58.21 49.26 11.5 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.19 1.796 . . . . 10.0 113.673 169.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -131.94 150.99 52.0 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.322 1.849 . . . . 10.0 108.488 173.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.0 m -134.13 140.86 46.86 Favored 'General case' 0 N--CA 1.475 0.814 0 CA-C-N 118.676 0.671 . . . . 10.0 111.975 -171.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.498 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 22.5 p90 -146.76 163.27 36.51 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 126.418 1.887 . . . . 10.0 110.25 -176.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -125.27 137.76 54.09 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 121.013 -1.055 . . . . 10.0 112.531 -174.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mm -136.48 151.53 28.34 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 C-N-CA 127.749 2.42 . . . . 10.0 109.596 -163.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -138.26 137.6 37.64 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 10.0 111.357 173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.64 170.08 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 127.258 2.223 . . . . 10.0 110.027 176.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.01 132.63 89.75 Favored Pre-proline 0 CA--C 1.554 1.125 0 O-C-N 121.0 -1.062 . . . . 10.0 111.622 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -66.14 -16.07 50.74 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 123.499 2.799 . . . . 10.0 114.589 -176.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -112.71 1.75 15.8 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.98 1.712 . . . . 10.0 112.902 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -70.2 158.46 35.78 Favored 'General case' 0 N--CA 1.469 0.513 0 O-C-N 120.619 -1.301 . . . . 10.0 110.911 159.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.7 p -84.2 170.37 13.82 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.611 0.764 . . . . 10.0 111.866 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 60.5 t -56.62 -22.09 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 O-C-N 121.682 -0.636 . . . . 10.0 112.6 175.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -46.04 -46.82 16.94 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.394 1.077 . . . . 10.0 112.406 168.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.37 -39.55 62.66 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.277 0.843 . . . . 10.0 113.277 -176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.1 tp -63.37 -41.12 98.79 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.594 1.558 . . . . 10.0 111.049 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.354 0.0 OUTLIER -84.18 -29.85 26.29 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 115.023 1.49 . . . . 10.0 115.023 -178.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -65.2 -39.2 92.49 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.595 1.088 . . . . 10.0 112.208 172.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.23 -34.19 68.11 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.512 0.93 . . . . 10.0 113.512 -171.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -75.21 -19.51 16.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 CA-C-N 119.258 0.935 . . . . 10.0 112.584 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.21 -31.37 71.15 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 121.015 -1.053 . . . . 10.0 111.592 169.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 m -68.05 -15.68 63.7 Favored 'General case' 0 N--CA 1.474 0.774 0 O-C-N 121.065 -1.022 . . . . 10.0 113.708 172.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -100.13 -31.16 11.54 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.694 1.198 . . . . 10.0 113.049 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.498 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 68.1 mttm -131.18 -10.38 3.74 Favored 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 114.947 1.462 . . . . 10.0 114.947 -169.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 85.66 157.35 28.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.617 1.58 . . . . 10.0 116.074 166.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -51.86 -30.73 25.0 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.958 2.103 . . . . 10.0 113.316 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -64.7 -20.39 66.29 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 125.587 1.555 . . . . 10.0 114.379 -179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -135.56 -27.61 1.17 Allowed 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 -175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -137.9 60.26 23.08 Favored Pre-proline 0 CA--C 1.544 0.722 0 C-N-CA 124.59 1.156 . . . . 10.0 111.539 -179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_endo -65.69 128.58 20.31 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.778 2.319 . . . . 10.0 111.596 -178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.7 t -53.07 -27.4 13.22 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 C-N-CA 125.135 1.374 . . . . 10.0 112.943 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.55 -8.88 57.41 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.781 1.771 . . . . 10.0 115.781 175.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.01 -3.09 0.08 OUTLIER Glycine 0 CA--C 1.537 1.444 0 N-CA-C 116.935 1.534 . . . . 10.0 116.935 -174.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -68.65 154.89 41.08 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 120.184 1.992 . . . . 10.0 112.282 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.6 tppp? -140.57 154.41 46.49 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.837 2.055 . . . . 10.0 110.574 -174.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mp -138.21 152.24 48.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.594 1.157 . . . . 10.0 111.692 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 18.6 mm -141.05 136.42 33.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 126.314 1.845 . . . . 10.0 110.172 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -107.71 84.23 1.93 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.715 0.806 . . . . 10.0 110.043 169.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.51 25.37 1.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.961 2.105 . . . . 10.0 116.074 176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 131.74 -8.29 5.52 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 125.246 1.403 . . . . 10.0 114.871 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 78.5 mttt -99.91 145.53 27.7 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 118.736 1.268 . . . . 10.0 110.102 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.3 mm -99.12 89.85 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 123.881 0.873 . . . . 10.0 108.749 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.6 mp -59.06 131.99 52.68 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.531 1.132 . . . . 10.0 110.747 178.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -130.12 134.22 47.18 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 125.153 1.381 . . . . 10.0 112.43 -160.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -16.78 29.08 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.77 1.628 . . . . 10.0 115.317 -173.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -122.85 11.46 9.67 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.838 1.655 . . . . 10.0 112.881 -173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.8 m -125.97 138.18 53.73 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.981 1.313 . . . . 10.0 110.439 177.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.57 146.05 45.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.954 1.302 . . . . 10.0 114.144 -169.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.45 -48.84 13.77 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.337 1.855 . . . . 10.0 115.304 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -19.63 65.79 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.271 1.582 . . . . 10.0 115.271 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.06 -25.78 64.63 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 119.463 1.028 . . . . 10.0 112.326 177.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -81.82 -5.98 58.68 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.4 0.68 . . . . 10.0 112.596 174.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 50.07 45.33 25.53 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 127.485 2.314 . . . . 10.0 113.562 -175.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 4.9 mt -64.06 146.07 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.137 0.975 . . . . 10.0 110.472 177.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -121.75 139.42 53.61 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.228 1.411 . . . . 10.0 111.622 -176.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -71.23 -7.38 46.45 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.468 1.655 . . . . 10.0 115.468 -168.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.53 5.2 13.31 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 124.836 1.255 . . . . 10.0 113.708 171.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -98.25 175.48 6.06 Favored 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 124.829 1.252 . . . . 10.0 108.983 169.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -132.88 160.6 36.53 Favored 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 114.87 1.433 . . . . 10.0 114.87 -179.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 27.5 t -121.15 149.62 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.558 0 C-N-CA 129.473 3.109 . . . . 10.0 107.606 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 t -110.13 141.85 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.264 1.026 . . . . 10.0 109.635 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.3 t -126.25 132.62 70.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.589 0 C-N-CA 125.771 1.628 . . . . 10.0 109.57 -176.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.9 mtt -140.17 179.59 6.55 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 127.414 2.286 . . . . 10.0 110.377 -167.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 34.8 m -125.14 153.18 32.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 C-N-CA 124.008 0.923 . . . . 10.0 111.107 164.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 34.5 p -140.28 172.65 12.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.364 1.866 . . . . 10.0 109.182 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -12.14 112.99 0.04 OUTLIER Pre-proline 0 CA--C 1.553 1.059 0 C-N-CA 126.617 1.967 . . . . 10.0 114.746 155.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -53.05 149.74 26.17 Favored 'Trans proline' 0 CA--C 1.538 0.685 0 C-N-CA 123.637 2.891 . . . . 10.0 113.633 172.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -55.83 -24.32 35.71 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 116.772 2.138 . . . . 10.0 116.772 -170.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.77 99.64 1.75 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.351 1.06 . . . . 10.0 111.351 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.8 p -140.56 155.11 22.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 125.067 1.347 . . . . 10.0 111.806 -178.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 55.9 m -130.48 150.34 51.74 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.762 1.625 . . . . 10.0 111.988 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 C--O 1.256 1.397 0 C-N-CA 125.666 1.586 . . . . 10.0 113.551 174.694 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.703 0 N-CA-C 112.207 -0.357 . . . . 10.0 112.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 m -73.56 -0.92 16.63 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.319 1.6 . . . . 10.0 115.319 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -56.34 155.41 6.97 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.905 1.682 . . . . 10.0 114.419 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -140.14 154.63 47.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.175 2.19 . . . . 10.0 109.521 177.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -99.4 154.04 18.52 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.681 -0.637 . . . . 10.0 112.111 -175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 19.5 t -137.56 145.3 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 124.558 1.143 . . . . 10.0 109.607 172.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 99.2 m -106.71 129.59 54.57 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.119 1.368 . . . . 10.0 109.154 176.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.5 mt -121.86 124.98 45.4 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.869 1.668 . . . . 10.0 111.552 -170.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.36 160.92 13.93 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.768 1.627 . . . . 10.0 110.322 168.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.2 p -138.12 165.19 27.26 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.509 0.724 . . . . 10.0 112.634 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.1 mt -58.85 -22.25 58.59 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.496 1.118 . . . . 10.0 113.303 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 mp0 -79.97 9.18 5.69 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 126.555 1.942 . . . . 10.0 113.769 177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 62.19 47.26 5.64 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.663 1.585 . . . . 10.0 113.329 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -140.12 163.68 32.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.99 1.716 . . . . 10.0 110.642 178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.3 m -138.5 145.77 41.18 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.317 1.047 . . . . 10.0 110.875 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.515 ' CE1' ' HE3' ' A' ' 37' ' ' LYS . 43.7 p90 -147.82 170.04 18.48 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 126.414 1.886 . . . . 10.0 109.385 174.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -142.42 141.9 32.3 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 124.027 0.931 . . . . 10.0 112.325 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.2 pp -140.48 179.34 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 127.883 2.473 . . . . 10.0 109.888 -170.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -139.76 143.13 36.8 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.245 1.018 . . . . 10.0 111.853 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.86 169.76 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 126.968 2.107 . . . . 10.0 110.251 176.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -73.09 122.01 86.57 Favored Pre-proline 0 CA--C 1.551 1.012 0 O-C-N 120.426 -1.421 . . . . 10.0 110.512 166.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -70.58 -13.62 32.78 Favored 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 123.096 2.53 . . . . 10.0 114.016 -174.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -75.42 -10.08 59.14 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.831 1.252 . . . . 10.0 113.579 171.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -86.25 161.97 18.51 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.372 0.987 . . . . 10.0 111.686 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.9 p -69.53 164.61 22.81 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.08 0.952 . . . . 10.0 112.264 174.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 89.2 t -53.1 -32.61 18.89 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.959 0.904 . . . . 10.0 112.126 175.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -47.56 -39.67 17.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.559 1.543 . . . . 10.0 113.208 174.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.79 -25.16 62.75 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 114.739 1.385 . . . . 10.0 114.739 -177.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.67 -32.89 13.87 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.778 0.831 . . . . 10.0 110.468 172.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.15 -36.68 80.06 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.924 -1.11 . . . . 10.0 112.892 175.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -66.13 -36.33 82.86 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.03 0.752 . . . . 10.0 113.03 175.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.89 -26.87 40.1 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.062 1.134 . . . . 10.0 114.062 -165.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -80.16 -21.78 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-N 118.736 0.698 . . . . 10.0 112.735 178.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -60.29 -32.9 71.63 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.233 -0.917 . . . . 10.0 111.357 166.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -66.5 -16.65 64.29 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 113.838 1.051 . . . . 10.0 113.838 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -100.19 -33.71 10.33 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.813 1.245 . . . . 10.0 113.148 -179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.515 ' HE3' ' CE1' ' A' ' 16' ' ' PHE . 66.5 mttm -128.66 -9.51 5.04 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 114.601 1.334 . . . . 10.0 114.601 -169.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.44 159.76 28.61 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 125.927 1.727 . . . . 10.0 116.174 165.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' CD ' ' H ' ' A' ' 39' ' ' LYS . 1.1 mptp? -52.62 -32.67 42.87 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 126.363 1.865 . . . . 10.0 112.647 169.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -57.48 -20.08 28.58 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.214 1.806 . . . . 10.0 114.03 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.93 -28.33 0.88 Allowed 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 114.644 1.35 . . . . 10.0 114.644 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -140.26 60.12 13.9 Favored Pre-proline 0 CA--C 1.549 0.912 0 C-N-CA 124.73 1.212 . . . . 10.0 112.006 -176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.41 127.42 17.32 Favored 'Trans proline' 0 CA--C 1.536 0.58 0 C-N-CA 123.015 2.476 . . . . 10.0 111.187 -177.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.2 t -53.14 -33.03 19.57 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 124.747 1.219 . . . . 10.0 113.332 -178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.81 -8.13 33.47 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 115.364 1.616 . . . . 10.0 115.364 175.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.38 -13.16 0.22 Allowed Glycine 0 CA--C 1.538 1.493 0 N-CA-C 116.382 1.313 . . . . 10.0 116.382 -175.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -77.45 142.07 39.37 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 120.293 2.046 . . . . 10.0 112.428 172.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -140.1 160.36 40.11 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 128.093 2.557 . . . . 10.0 110.096 -173.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -133.99 154.21 51.27 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.395 0.887 . . . . 10.0 113.395 -170.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.8 mm -135.52 144.09 34.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 128.117 2.567 . . . . 10.0 109.723 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -127.4 92.06 3.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.755 0.822 . . . . 10.0 110.627 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 56.17 15.27 1.79 Allowed 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 116.583 2.068 . . . . 10.0 116.583 174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 144.09 -9.54 2.0 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 115.774 1.069 . . . . 10.0 115.774 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -125.19 156.97 37.62 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.919 1.359 . . . . 10.0 112.265 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.9 mt -99.14 128.39 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.146 0.978 . . . . 10.0 109.25 -170.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 mp -80.12 105.8 11.66 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 125.371 1.468 . . . . 10.0 110.814 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -75.22 132.67 41.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.602 1.561 . . . . 10.0 112.305 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -63.94 -11.48 28.71 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.103 1.52 . . . . 10.0 115.103 -175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -120.24 12.33 11.76 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.037 1.735 . . . . 10.0 113.276 -176.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 99.6 m -118.03 133.5 55.85 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.995 1.318 . . . . 10.0 110.227 178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.94 140.71 57.76 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.11 0.964 . . . . 10.0 113.099 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.06 -33.31 74.15 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.43 1.27 . . . . 10.0 114.43 -169.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.69 -20.97 64.05 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.07 1.507 . . . . 10.0 115.07 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -80.14 -12.59 59.65 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.294 0.952 . . . . 10.0 112.877 174.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -91.09 -4.91 55.86 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.492 1.117 . . . . 10.0 113.194 164.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.3 mttt 46.7 44.4 13.81 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 126.208 1.803 . . . . 10.0 112.851 -176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 41.5 mm -60.91 144.37 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 123.861 0.864 . . . . 10.0 110.09 177.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -140.54 138.77 34.77 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.325 1.05 . . . . 10.0 110.62 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -67.94 -3.01 8.56 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.314 1.446 . . . . 10.0 114.073 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -86.24 -13.82 45.67 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.055 1.742 . . . . 10.0 112.27 169.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -116.45 -172.75 2.24 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 127.742 2.417 . . . . 10.0 110.011 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -140.07 160.52 39.74 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 122.357 1.075 . . . . 10.0 112.936 173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.31 150.8 18.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 C-N-CA 129.632 3.173 . . . . 10.0 107.308 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 15.9 t -119.36 137.98 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 O-C-N 120.965 -1.084 . . . . 10.0 109.559 -177.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.7 t -112.73 138.92 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 125.436 1.494 . . . . 10.0 109.829 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -140.12 160.6 39.58 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.134 1.774 . . . . 10.0 110.305 -178.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 21.2 t -135.24 119.65 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 O-C-N 121.265 -0.897 . . . . 10.0 110.76 -174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.1 t -145.95 150.07 35.38 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.288 1.035 . . . . 10.0 112.393 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 44.6 tptt -154.06 138.08 10.92 Favored Pre-proline 0 N--CA 1.474 0.755 0 C-N-CA 125.403 1.481 . . . . 10.0 109.886 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -66.65 -12.85 37.53 Favored 'Trans proline' 0 CA--C 1.541 0.844 0 C-N-CA 122.761 2.308 . . . . 10.0 114.878 -176.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -64.94 -27.27 68.73 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.898 1.279 . . . . 10.0 113.38 169.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -81.31 109.26 15.65 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.376 1.07 . . . . 10.0 111.097 177.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.8 m -140.1 157.21 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 125.618 1.567 . . . . 10.0 111.744 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.4 t -131.05 150.25 52.23 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.399 1.479 . . . . 10.0 111.508 174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 35.5 m . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.088 1.755 . . . . 10.0 110.848 -175.024 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.578 0 N-CA-C 111.477 -0.649 . . . . 10.0 111.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -137.37 14.95 2.99 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.624 1.17 . . . . 10.0 113.732 -172.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.97 165.8 24.5 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.28 1.832 . . . . 10.0 110.654 179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.5 ptt? -129.79 155.17 46.38 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.16 1.384 . . . . 10.0 110.516 171.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.71 146.88 26.02 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.445 1.098 . . . . 10.0 111.306 -178.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.5 t -138.62 140.84 38.6 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 126.056 1.742 . . . . 10.0 109.206 177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 97.4 m -100.04 128.27 46.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.405 1.482 . . . . 10.0 109.17 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -120.44 123.77 43.82 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 124.145 0.978 . . . . 10.0 111.015 -170.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -99.55 149.28 23.41 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.026 1.33 . . . . 10.0 110.717 175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 51.8 p -99.69 168.84 9.67 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.566 0.746 . . . . 10.0 111.905 178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -71.17 4.57 2.68 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 124.676 1.19 . . . . 10.0 113.456 165.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -131.73 22.61 4.64 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.679 2.392 . . . . 10.0 110.947 -163.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.4 mp0 57.86 50.99 9.63 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.488 1.915 . . . . 10.0 113.614 171.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -139.45 153.02 47.48 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.649 1.979 . . . . 10.0 108.596 176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.4 m -136.98 143.32 42.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.686 0.795 . . . . 10.0 111.213 177.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -143.62 170.47 15.77 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.184 1.394 . . . . 10.0 112.086 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -125.81 121.76 34.23 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.932 1.693 . . . . 10.0 110.301 -166.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mm -128.93 153.59 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 126.77 2.028 . . . . 10.0 109.958 -170.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -140.46 136.86 33.42 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.106 0.962 . . . . 10.0 111.685 173.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.56 170.07 6.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 126.756 2.022 . . . . 10.0 110.575 175.165 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -62.09 130.28 92.69 Favored Pre-proline 0 CA--C 1.556 1.185 0 O-C-N 120.965 -1.085 . . . . 10.0 111.753 174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -65.29 -16.17 53.39 Favored 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 123.84 3.027 . . . . 10.0 115.123 -175.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -117.0 5.55 12.86 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.327 1.451 . . . . 10.0 112.843 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -78.82 163.59 25.21 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.306 -0.871 . . . . 10.0 110.026 163.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 43.8 p -82.65 163.38 21.42 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.893 -1.129 . . . . 10.0 113.313 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.99 -28.03 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.224 1.01 . . . . 10.0 112.463 178.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -49.43 -42.73 43.61 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.486 1.039 . . . . 10.0 112.539 172.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.09 -45.9 83.33 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.578 1.081 . . . . 10.0 112.878 179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 12.4 tp -63.33 -39.79 95.52 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.003 1.721 . . . . 10.0 111.679 174.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.82 -35.08 33.43 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.691 1.196 . . . . 10.0 113.811 -175.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -67.58 -41.38 84.23 Favored 'General case' 0 N--CA 1.467 0.39 0 O-C-N 121.64 -0.663 . . . . 10.0 112.586 171.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -33.62 76.38 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -74.69 -20.24 16.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 CA-C-N 119.252 0.933 . . . . 10.0 112.622 -175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -56.71 -34.57 67.6 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.542 -0.724 . . . . 10.0 111.633 167.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.7 m -74.55 -14.06 60.75 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.842 1.053 . . . . 10.0 113.842 174.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -99.13 -38.81 8.78 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.576 1.151 . . . . 10.0 112.781 -177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -107.45 -20.4 13.27 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 124.673 1.189 . . . . 10.0 113.483 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.93 146.55 14.18 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 125.894 1.711 . . . . 10.0 113.409 175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 53.8 tptt -49.49 -35.47 19.92 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 126.814 2.046 . . . . 10.0 113.157 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -69.77 -10.72 59.45 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 125.817 1.647 . . . . 10.0 114.749 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.53 -33.06 1.9 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -173.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -139.62 63.63 27.46 Favored Pre-proline 0 CA--C 1.546 0.811 0 C-N-CA 125.176 1.39 . . . . 10.0 111.577 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -64.14 133.4 37.96 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.878 2.385 . . . . 10.0 111.582 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.1 t -55.48 -30.63 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.225 0 C-N-CA 124.265 1.026 . . . . 10.0 112.499 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.54 -12.66 60.88 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 115.386 1.625 . . . . 10.0 115.386 174.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.19 -7.43 0.33 Allowed Glycine 0 CA--C 1.535 1.284 0 N-CA-C 116.661 1.424 . . . . 10.0 116.661 -171.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -80.73 150.58 29.24 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.984 1.892 . . . . 10.0 112.971 173.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.9 mtmt -139.9 158.43 44.1 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 128.24 2.616 . . . . 10.0 110.306 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mp -128.83 148.41 50.88 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 126.009 1.723 . . . . 10.0 111.761 -175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.2 mm -136.39 138.2 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.671 1.588 . . . . 10.0 110.282 167.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -115.13 85.62 2.3 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.843 1.257 . . . . 10.0 109.885 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 51.66 24.82 2.53 Favored 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.616 1.967 . . . . 10.0 115.911 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.68 -7.33 7.4 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 125.531 1.538 . . . . 10.0 114.516 -179.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -99.86 144.09 29.32 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.422 1.489 . . . . 10.0 109.537 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.9 mt -104.0 108.67 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 C-N-CA 124.883 1.273 . . . . 10.0 108.185 -177.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -71.45 150.87 44.51 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.374 1.069 . . . . 10.0 111.227 -178.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -130.49 126.98 38.23 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.288 1.035 . . . . 10.0 113.102 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -55.74 -23.6 30.16 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.803 1.641 . . . . 10.0 115.005 -177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -103.39 10.22 37.47 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.153 1.381 . . . . 10.0 113.344 -177.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 89.8 m -123.44 135.37 54.06 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.121 1.368 . . . . 10.0 110.937 -175.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.97 139.1 58.73 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 124.717 1.207 . . . . 10.0 112.794 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -49.28 -47.64 46.65 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 115.266 1.58 . . . . 10.0 115.266 -175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.25 -14.68 52.08 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 115.682 1.734 . . . . 10.0 115.682 -178.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -66.68 -24.57 66.28 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.488 1.04 . . . . 10.0 112.143 170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -94.49 -2.63 51.39 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.319 1.447 . . . . 10.0 113.356 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 44.04 41.67 4.23 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 127.362 2.265 . . . . 10.0 113.484 -179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.2 mt -62.8 133.98 28.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.127 0.571 . . . . 10.0 109.606 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -108.11 141.69 39.44 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.231 1.013 . . . . 10.0 112.474 -168.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -70.23 -4.17 20.47 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.819 1.648 . . . . 10.0 114.989 -170.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.09 14.33 4.24 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.723 1.609 . . . . 10.0 113.579 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -99.76 178.69 4.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.864 1.266 . . . . 10.0 109.899 160.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -136.65 160.43 38.83 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 113.6 0.963 . . . . 10.0 113.6 176.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.09 150.03 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 127.256 2.222 . . . . 10.0 108.807 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 45.6 t -100.25 133.41 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 124.485 1.114 . . . . 10.0 110.11 -178.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.6 m -104.71 132.65 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.939 1.696 . . . . 10.0 110.63 168.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 22.9 ptt? -140.54 163.63 32.32 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.628 1.571 . . . . 10.0 110.991 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.2 m -127.72 156.81 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 CA-C-N 119.406 1.003 . . . . 10.0 112.745 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.72 154.39 46.32 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.078 1.351 . . . . 10.0 112.084 170.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.592 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 64.5 tttp -131.85 -47.17 0.03 OUTLIER Pre-proline 0 CA--C 1.547 0.844 0 C-N-CA 126.124 1.77 . . . . 10.0 115.029 -174.51 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.592 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 83.2 Cg_endo -74.51 162.43 38.09 Favored 'Trans proline' 0 CA--C 1.542 0.879 0 CA-C-N 122.441 1.908 . . . . 10.0 112.737 -179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -150.37 141.07 22.66 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.398 1.479 . . . . 10.0 111.336 178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.01 106.24 3.61 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.156 0.982 . . . . 10.0 110.925 170.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 44.9 t -136.75 134.44 48.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 C-N-CA 125.47 1.508 . . . . 10.0 109.983 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 70.0 m -130.65 150.35 51.88 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.802 1.641 . . . . 10.0 111.738 178.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.483 1.178 0 C-N-CA 126.135 1.774 . . . . 10.0 110.679 179.274 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.315 0 N-CA-C 110.469 -1.052 . . . . 10.0 110.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.7 p -150.33 2.63 0.49 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.141 1.377 . . . . 10.0 114.389 -172.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -43.1 135.63 3.13 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 -164.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.0 ptt? -140.35 160.89 38.98 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 127.488 2.315 . . . . 10.0 110.368 177.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -99.49 151.01 21.61 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.704 0.802 . . . . 10.0 112.925 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.0 t -136.82 146.37 28.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 126.947 2.099 . . . . 10.0 108.629 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.4 m -100.0 124.68 45.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.233 1.413 . . . . 10.0 108.611 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -118.99 131.07 55.99 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.129 0.972 . . . . 10.0 109.926 -173.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -118.41 153.79 33.49 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.066 0.946 . . . . 10.0 112.823 174.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.5 p -103.41 171.99 7.06 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.517 1.127 . . . . 10.0 113.157 -169.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.81 1.94 1.63 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 125.064 1.346 . . . . 10.0 113.88 162.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -125.15 27.77 6.56 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 126.765 2.026 . . . . 10.0 111.039 -171.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . 0.281 5.6 pm0 43.63 50.63 6.53 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 127.48 2.312 . . . . 10.0 115.151 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -134.06 150.98 51.22 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.654 1.581 . . . . 10.0 109.346 175.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.0 m -137.37 142.53 41.76 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.97 0.908 . . . . 10.0 111.369 -174.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 25.3 p90 -144.56 170.17 16.57 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.95 1.7 . . . . 10.0 111.957 -173.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -122.97 122.12 37.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.803 1.641 . . . . 10.0 110.655 -170.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.1 mm -125.95 153.93 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 126.706 2.002 . . . . 10.0 109.276 -176.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -138.16 134.25 34.32 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.036 0.935 . . . . 10.0 111.508 174.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.27 165.2 11.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 C-N-CA 126.471 1.909 . . . . 10.0 110.472 176.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.21 111.5 8.78 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.21 1.004 . . . . 10.0 110.977 168.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.5 -8.5 23.32 Favored 'Trans proline' 0 CA--C 1.54 0.82 0 C-N-CA 123.646 2.898 . . . . 10.0 114.801 -175.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -69.67 -14.59 62.89 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.95 1.093 . . . . 10.0 113.95 165.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.73 163.38 16.53 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.312 0.96 . . . . 10.0 112.214 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 72.7 p -76.21 166.3 23.65 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.845 0.858 . . . . 10.0 111.837 174.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 66.2 t -52.56 -27.29 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 124.148 0.979 . . . . 10.0 113.499 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -45.36 -45.01 12.27 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.497 1.119 . . . . 10.0 112.678 170.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.96 -27.26 68.71 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.418 1.266 . . . . 10.0 114.418 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.41 -41.47 8.2 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.903 0.881 . . . . 10.0 109.962 177.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -29.88 67.7 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 120.536 -1.353 . . . . 10.0 112.814 -178.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -71.8 -28.41 63.58 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.357 -0.839 . . . . 10.0 113.042 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.91 -39.04 44.25 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.767 1.167 . . . . 10.0 112.374 -177.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 pp -68.46 -21.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 CA-C-N 119.575 1.08 . . . . 10.0 112.818 -178.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -57.67 -37.15 72.93 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.414 -0.804 . . . . 10.0 111.847 167.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.9 m -75.67 -16.8 60.14 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.101 -0.999 . . . . 10.0 113.664 174.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -87.26 -31.49 20.24 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.047 0.939 . . . . 10.0 112.628 178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -126.28 -12.58 6.25 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.875 1.27 . . . . 10.0 114.377 -169.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.75 140.27 10.59 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 126.465 1.983 . . . . 10.0 113.105 176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 tmtt? -54.84 -32.25 60.33 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.873 1.669 . . . . 10.0 112.47 169.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -59.24 -17.18 25.97 Favored 'General case' 0 CA--C 1.551 1.011 0 C-N-CA 125.929 1.691 . . . . 10.0 114.789 174.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -130.2 -27.58 2.22 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.271 1.211 . . . . 10.0 114.271 -177.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.8 60.42 29.91 Favored Pre-proline 0 CA--C 1.548 0.877 0 C-N-CA 125.516 1.527 . . . . 10.0 111.516 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -64.77 135.63 45.71 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 122.939 2.426 . . . . 10.0 111.274 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 24.1 t -53.53 -32.47 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.681 1.192 . . . . 10.0 112.857 176.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.8 -9.35 54.35 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 115.333 1.605 . . . . 10.0 115.333 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -143.48 -12.06 0.36 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 116.598 1.399 . . . . 10.0 116.598 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -77.52 150.73 34.79 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 120.047 1.923 . . . . 10.0 112.858 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -140.11 160.28 40.3 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.564 2.346 . . . . 10.0 111.609 -175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.1 mp -138.14 147.96 44.45 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.669 0.988 . . . . 10.0 113.669 -176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 6.6 mm -134.03 144.26 36.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 127.112 2.165 . . . . 10.0 110.571 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -128.96 95.08 3.98 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.486 1.114 . . . . 10.0 110.856 169.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.79 23.12 1.3 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.757 2.023 . . . . 10.0 116.17 175.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 124.89 -3.87 8.51 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.399 1.476 . . . . 10.0 114.988 -178.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -100.08 137.9 37.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.409 1.484 . . . . 10.0 108.976 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.96 110.24 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 106.088 -1.819 . . . . 10.0 106.088 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt -75.18 149.43 38.96 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 122.998 0.519 . . . . 10.0 110.674 -173.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -130.14 131.7 45.77 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.079 1.352 . . . . 10.0 112.759 -162.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -63.92 -7.0 6.93 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.966 1.469 . . . . 10.0 114.966 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -119.88 12.06 11.97 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.339 1.456 . . . . 10.0 112.807 -178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 97.1 m -132.24 133.17 43.81 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.791 1.236 . . . . 10.0 109.989 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.58 145.39 52.58 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.679 1.192 . . . . 10.0 113.574 -172.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.77 -43.38 37.81 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.961 1.704 . . . . 10.0 114.483 -177.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 -17.82 64.12 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.407 1.632 . . . . 10.0 115.407 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -68.7 -28.23 66.66 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.436 1.016 . . . . 10.0 112.178 176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -80.45 -11.0 59.74 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.102 0.961 . . . . 10.0 112.775 177.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 51.46 48.18 23.43 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.932 2.093 . . . . 10.0 113.009 -171.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 28.2 mm -58.28 147.78 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.916 0.886 . . . . 10.0 109.847 170.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -130.54 140.27 50.48 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.818 1.247 . . . . 10.0 111.523 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -70.01 -7.08 37.98 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 115.601 1.704 . . . . 10.0 115.601 -171.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 14.45 6.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.707 1.603 . . . . 10.0 113.039 173.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -99.85 178.66 4.76 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.934 1.294 . . . . 10.0 109.325 156.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 10.5 p90 -133.51 160.32 37.79 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 114.155 1.168 . . . . 10.0 114.155 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 22.1 t -122.2 150.39 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 129.619 3.167 . . . . 10.0 107.051 -175.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.9 t -111.72 129.52 66.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 O-C-N 121.319 -0.863 . . . . 10.0 109.633 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.9 m -100.0 139.69 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 124.97 1.308 . . . . 10.0 109.987 173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 mtt -138.47 160.3 39.89 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 125.546 1.538 . . . . 10.0 109.698 -174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.85 141.65 31.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 O-C-N 121.371 -0.831 . . . . 10.0 112.548 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.0 t -140.85 150.84 43.78 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.291 1.436 . . . . 10.0 112.109 175.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 40.6 tttm -142.23 138.55 16.76 Favored Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 126.009 1.724 . . . . 10.0 110.162 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.24 143.36 64.69 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 123.728 2.952 . . . . 10.0 114.055 168.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -135.82 7.06 3.21 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 125.639 1.576 . . . . 10.0 113.666 178.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.88 115.9 4.41 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.53 1.132 . . . . 10.0 112.059 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.0 p -140.13 -11.26 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 C-N-CA 124.939 1.295 . . . . 10.0 113.819 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.0 m -60.93 147.77 42.05 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.085 1.354 . . . . 10.0 113.437 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--O 1.251 1.182 0 C-N-CA 125.627 1.571 . . . . 10.0 113.375 173.834 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.419 0 N-CA-C 110.769 -0.932 . . . . 10.0 110.769 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -70.26 53.42 0.14 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.42 2.288 . . . . 10.0 113.529 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.0 p-80 -58.49 161.35 4.58 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 127.059 2.144 . . . . 10.0 114.89 -174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -132.92 157.33 45.39 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.311 1.844 . . . . 10.0 110.242 172.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -100.74 150.1 23.12 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.087 0.555 . . . . 10.0 110.788 174.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.3 t -135.65 150.03 28.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.488 1.115 . . . . 10.0 109.742 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 32.9 m -109.54 115.41 29.87 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.302 1.441 . . . . 10.0 109.948 -176.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.6 mt -109.9 133.24 53.38 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 125.075 1.35 . . . . 10.0 111.213 -172.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 58.8 tptt -126.49 142.92 51.37 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 129.033 2.933 . . . . 10.0 109.242 -166.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -130.34 156.22 45.06 Favored 'General case' 0 N--CA 1.482 1.142 0 N-CA-C 114.28 1.215 . . . . 10.0 114.28 -163.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.99 -26.05 67.99 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.922 0.889 . . . . 10.0 112.2 168.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -79.46 13.79 1.85 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 127.115 2.166 . . . . 10.0 112.875 176.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 60.4 44.57 12.0 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.902 2.081 . . . . 10.0 113.875 174.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -129.93 156.73 43.94 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.596 1.558 . . . . 10.0 110.349 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.35 142.41 43.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.746 0.818 . . . . 10.0 110.77 168.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -147.46 170.2 17.9 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.791 1.636 . . . . 10.0 111.376 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -134.4 135.12 42.38 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 125.483 1.513 . . . . 10.0 111.628 -176.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.37 176.56 5.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 128.014 2.525 . . . . 10.0 109.946 -176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -140.07 140.53 36.13 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.139 0.975 . . . . 10.0 112.685 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -146.84 170.22 4.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.891 0 C-N-CA 127.518 2.327 . . . . 10.0 110.624 176.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -73.48 133.3 80.48 Favored Pre-proline 0 CA--C 1.553 1.073 0 O-C-N 120.292 -1.505 . . . . 10.0 112.542 171.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -54.9 -31.51 73.76 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 124.065 3.177 . . . . 10.0 114.604 174.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -75.73 -11.3 59.97 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.207 1.403 . . . . 10.0 113.457 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -86.26 159.52 19.42 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.252 0.933 . . . . 10.0 110.722 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 51.7 p -82.03 165.51 20.59 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 121.192 -0.942 . . . . 10.0 112.352 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.8 t -54.24 -33.29 25.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 O-C-N 121.661 -0.649 . . . . 10.0 112.531 176.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -47.79 -38.91 16.73 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.712 1.205 . . . . 10.0 112.721 176.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.17 -48.84 61.12 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.591 1.087 . . . . 10.0 113.528 -178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.15 -30.21 70.64 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 121.279 -0.888 . . . . 10.0 111.758 175.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -75.26 -37.21 61.07 Favored 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 125.528 1.531 . . . . 10.0 113.589 176.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -78.21 -37.11 46.26 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.45 -0.781 . . . . 10.0 112.532 177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.38 -31.11 72.05 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.702 1.001 . . . . 10.0 113.702 -176.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 pp -79.47 -20.99 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 N-CA-C 112.66 0.615 . . . . 10.0 112.66 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -58.42 -36.74 74.07 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.274 0.943 . . . . 10.0 111.385 167.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 m -69.57 -23.87 63.61 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.475 0.917 . . . . 10.0 113.475 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -100.65 -33.28 10.35 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.859 1.264 . . . . 10.0 114.036 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -108.45 -13.99 14.75 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.663 1.585 . . . . 10.0 113.093 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.43 138.16 5.02 Favored Glycine 0 CA--C 1.533 1.159 0 C-N-CA 126.165 1.841 . . . . 10.0 113.676 176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -19.24 64.86 Favored 'General case' 0 N--CA 1.478 0.926 0 O-C-N 121.428 -1.043 . . . . 10.0 113.8 177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -66.46 -15.23 63.18 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.286 1.434 . . . . 10.0 114.048 172.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.33 -23.85 3.46 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.183 1.393 . . . . 10.0 113.97 177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -140.27 64.44 25.52 Favored Pre-proline 0 CA--C 1.548 0.883 0 C-N-CA 125.481 1.513 . . . . 10.0 111.869 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -68.92 128.64 17.11 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 123.149 2.566 . . . . 10.0 111.333 -177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -58.97 -28.64 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 O-C-N 120.901 -1.125 . . . . 10.0 112.106 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.99 -8.86 56.28 Favored 'General case' 0 CA--C 1.552 1.037 0 N-CA-C 115.218 1.562 . . . . 10.0 115.218 174.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -149.46 -4.61 0.24 Allowed Glycine 0 N--CA 1.476 1.363 0 N-CA-C 117.032 1.573 . . . . 10.0 117.032 -172.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -84.64 155.46 21.98 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.907 1.854 . . . . 10.0 113.221 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -140.38 158.14 44.47 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 127.726 2.41 . . . . 10.0 110.153 179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -131.54 156.37 45.84 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.988 1.315 . . . . 10.0 111.948 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.6 mm -140.67 141.46 32.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 128.146 2.578 . . . . 10.0 108.723 174.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -113.19 83.88 1.91 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.805 0.842 . . . . 10.0 110.239 171.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 49.4 26.22 1.56 Allowed 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 126.816 2.046 . . . . 10.0 115.875 176.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 128.55 -3.68 6.61 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.839 1.209 . . . . 10.0 115.057 -176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -104.55 143.11 33.5 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 118.872 1.336 . . . . 10.0 110.004 176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.55 90.0 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 108.363 -0.977 . . . . 10.0 108.363 -169.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.68 139.6 58.28 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.488 1.515 . . . . 10.0 112.57 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -130.47 133.83 46.61 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.613 1.565 . . . . 10.0 112.633 -172.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.33 -17.14 26.92 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.657 1.983 . . . . 10.0 115.609 -177.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -121.77 17.89 11.08 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.537 1.535 . . . . 10.0 113.454 -175.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 58.2 m -122.76 130.87 53.42 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 126.163 1.785 . . . . 10.0 109.789 176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.52 142.39 58.14 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.265 1.026 . . . . 10.0 113.046 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 49.1 mt -63.42 -32.44 73.88 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 114.526 1.306 . . . . 10.0 114.526 -169.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.83 -15.83 63.27 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.773 1.397 . . . . 10.0 114.773 174.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -69.15 -27.91 65.96 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 119.544 1.065 . . . . 10.0 111.849 169.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -88.62 -8.27 54.95 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.868 1.267 . . . . 10.0 113.353 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.05 44.43 25.73 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 127.029 2.132 . . . . 10.0 113.186 179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.13 145.14 14.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.292 1.037 . . . . 10.0 110.745 -179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -140.49 142.77 35.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.811 1.245 . . . . 10.0 111.931 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -57.91 -20.41 36.96 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.924 1.69 . . . . 10.0 113.735 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -85.39 -9.4 57.62 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.799 1.24 . . . . 10.0 112.573 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -117.28 178.14 4.48 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.947 1.699 . . . . 10.0 110.315 171.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -136.39 168.17 19.95 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 120.829 -1.169 . . . . 10.0 113.817 -175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 53.5 t -137.04 124.77 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 127.054 2.142 . . . . 10.0 106.721 -161.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.1 t -99.51 119.11 47.09 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 C-N-CA 123.448 0.699 . . . . 10.0 109.412 -171.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -99.83 135.77 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 C-N-CA 126.449 1.9 . . . . 10.0 109.191 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.0 mtt -136.81 160.7 38.07 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.478 1.911 . . . . 10.0 110.373 -171.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 47.9 t -138.1 140.54 40.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.428 1.091 . . . . 10.0 110.195 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.7 t -140.42 150.53 43.97 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.421 1.088 . . . . 10.0 112.772 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -145.44 144.86 24.17 Favored Pre-proline 0 CA--C 1.544 0.731 0 C-N-CA 126.744 2.018 . . . . 10.0 109.84 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -51.79 -19.83 8.65 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.385 3.39 . . . . 10.0 118.271 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -63.44 -20.63 65.73 Favored 'General case' 0 N--CA 1.478 0.933 0 N-CA-C 114.612 1.338 . . . . 10.0 114.612 173.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.44 114.56 3.28 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.647 1.179 . . . . 10.0 111.972 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.0 p -140.12 -1.94 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.745 1.218 . . . . 10.0 113.733 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.9 m -60.42 150.1 32.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.317 1.447 . . . . 10.0 113.679 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 33.4 p . . . . . 0 C--O 1.254 1.318 0 C-N-CA 126.437 1.895 . . . . 10.0 112.791 -179.33 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.661 -0.575 . . . . 10.0 111.661 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.8 p -66.05 -22.4 66.43 Favored 'General case' 0 N--CA 1.477 0.916 0 N-CA-C 114.666 1.358 . . . . 10.0 114.666 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.7 p-80 -148.92 165.63 30.99 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.924 1.689 . . . . 10.0 111.221 -175.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -139.55 160.18 40.45 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.255 1.422 . . . . 10.0 110.529 170.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -113.98 146.16 40.53 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.811 1.244 . . . . 10.0 110.79 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.8 t -139.72 146.18 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.608 1.563 . . . . 10.0 109.616 -176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.2 m -99.98 122.34 42.73 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.664 1.585 . . . . 10.0 108.475 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -116.33 125.97 52.87 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.115 0.966 . . . . 10.0 110.105 -173.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.63 148.74 43.51 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.246 0.832 . . . . 10.0 113.246 177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 44.3 p -100.7 163.19 12.44 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.967 0.889 . . . . 10.0 113.166 -166.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -63.37 7.3 0.1 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.467 1.507 . . . . 10.0 114.989 161.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -130.61 22.58 5.07 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 126.854 2.061 . . . . 10.0 112.071 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 60.08 49.59 7.34 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.627 1.571 . . . . 10.0 113.836 171.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -135.58 148.38 49.04 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 126.205 1.802 . . . . 10.0 108.176 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.5 m -138.03 143.48 40.58 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.605 0.762 . . . . 10.0 111.797 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.09 170.64 16.74 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.831 1.653 . . . . 10.0 112.004 -175.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -122.8 123.93 42.16 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.238 1.815 . . . . 10.0 110.8 -169.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mm -129.16 150.52 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.825 0 C-N-CA 126.691 1.996 . . . . 10.0 109.778 -172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -138.97 133.11 31.32 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.904 0.881 . . . . 10.0 112.455 175.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -145.62 170.39 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 126.727 2.011 . . . . 10.0 111.166 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.76 126.66 91.4 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 124.731 1.212 . . . . 10.0 111.816 172.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -70.44 -20.19 31.95 Favored 'Trans proline' 0 CA--C 1.541 0.833 0 C-N-CA 123.441 2.761 . . . . 10.0 113.947 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -80.0 -10.78 59.8 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.12 1.368 . . . . 10.0 114.018 176.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -84.88 164.72 18.22 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 119.226 0.921 . . . . 10.0 111.702 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.1 p -73.24 169.03 17.92 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 121.512 -0.742 . . . . 10.0 111.997 176.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.5 t -49.56 -29.28 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 124.677 1.191 . . . . 10.0 113.542 172.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.7 mtmm -54.78 -29.54 54.56 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.958 0.903 . . . . 10.0 113.031 173.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.24 -43.46 98.78 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.571 1.532 . . . . 10.0 113.438 175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.5 mt -69.1 -45.12 71.02 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.262 0.625 . . . . 10.0 111.062 169.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.54 -29.95 37.11 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 114.823 1.416 . . . . 10.0 114.823 -166.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.89 -42.98 76.2 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.558 0.743 . . . . 10.0 111.523 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -36.39 78.98 Favored 'General case' 0 C--N 1.347 0.485 0 N-CA-C 113.87 1.063 . . . . 10.0 113.87 -167.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -73.0 -23.08 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 CA-C-N 118.533 0.606 . . . . 10.0 112.573 -172.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -57.25 -33.95 68.11 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 121.566 -0.709 . . . . 10.0 111.818 171.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 48.7 m -67.82 -22.53 65.15 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 121.27 -0.894 . . . . 10.0 113.401 176.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -100.9 -33.95 10.0 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.17 1.388 . . . . 10.0 113.938 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -99.54 -21.65 15.82 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.63 1.172 . . . . 10.0 113.222 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 91.27 148.13 21.08 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 126.335 1.921 . . . . 10.0 113.836 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -47.24 -35.6 7.87 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 127.374 2.27 . . . . 10.0 113.611 169.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.12 -32.69 73.99 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.573 0.953 . . . . 10.0 113.573 -178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.04 -35.0 8.7 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.116 0.966 . . . . 10.0 113.149 -174.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 60.5 m-85 -140.01 66.49 32.42 Favored Pre-proline 0 CA--C 1.548 0.894 0 C-N-CA 125.148 1.379 . . . . 10.0 111.429 -176.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -64.95 128.65 21.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 122.65 2.233 . . . . 10.0 111.069 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -52.81 -42.6 43.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.058 1.343 . . . . 10.0 113.489 -176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.5 -4.45 39.83 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.669 1.588 . . . . 10.0 114.252 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -136.25 26.96 3.05 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 126.136 1.827 . . . . 10.0 113.09 -175.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -133.5 155.32 49.77 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.583 1.192 . . . . 10.0 114.167 173.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -139.72 152.74 46.9 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.784 2.434 . . . . 10.0 110.711 -171.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.7 mp -121.65 147.35 45.98 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.66 1.984 . . . . 10.0 111.584 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 10.4 mm -132.12 132.14 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 126.454 1.902 . . . . 10.0 108.69 169.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -102.48 87.1 2.93 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.914 -0.492 . . . . 10.0 110.415 171.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 50.94 26.66 2.78 Favored 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.199 1.799 . . . . 10.0 115.396 174.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.67 -8.28 7.78 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 125.33 1.443 . . . . 10.0 114.825 -176.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -99.72 143.2 30.22 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 118.977 1.389 . . . . 10.0 110.264 179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.6 mt -99.54 89.98 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 N-CA-C 108.167 -1.049 . . . . 10.0 108.167 -173.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mp -57.77 143.91 40.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.382 1.473 . . . . 10.0 111.736 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -129.95 128.26 41.75 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.131 1.372 . . . . 10.0 112.028 -166.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -63.15 -11.72 22.43 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.672 1.73 . . . . 10.0 115.672 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -114.29 10.23 17.13 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 126.051 1.74 . . . . 10.0 113.505 -179.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 98.5 m -129.85 136.6 49.73 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 120.92 -1.112 . . . . 10.0 111.238 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.42 143.56 56.21 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.293 1.437 . . . . 10.0 113.707 -174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.4 mt -57.53 -39.23 76.13 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.706 1.602 . . . . 10.0 114.573 -171.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.62 -19.27 64.72 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 115.159 1.541 . . . . 10.0 115.159 176.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -70.19 -22.29 62.95 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.544 1.065 . . . . 10.0 112.664 175.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -88.34 -7.09 57.25 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.281 1.032 . . . . 10.0 111.905 172.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . 0.272 20.1 ptmt 42.24 53.56 4.4 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 128.313 2.645 . . . . 10.0 113.803 -176.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.15 149.92 8.89 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 125.845 1.658 . . . . 10.0 111.036 179.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -132.71 136.77 46.6 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.71 1.604 . . . . 10.0 112.149 -174.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.29 -9.67 49.24 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.766 1.765 . . . . 10.0 115.766 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -105.6 -8.42 17.97 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.667 1.587 . . . . 10.0 112.349 178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -99.85 -178.8 3.97 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.411 1.885 . . . . 10.0 109.79 169.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -136.1 160.59 38.19 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 114.493 1.294 . . . . 10.0 114.493 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.1 t -117.07 142.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 C-N-CA 128.868 2.867 . . . . 10.0 107.1 177.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 16.4 t -103.09 125.37 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.606 0.763 . . . . 10.0 109.651 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.1 m -99.73 129.55 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 125.598 1.559 . . . . 10.0 109.972 173.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.5 ptp -138.19 159.17 42.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.499 1.12 . . . . 10.0 111.701 -176.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 57.3 t -138.74 144.71 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.061 0.944 . . . . 10.0 111.25 -159.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 21.4 p -140.36 125.82 18.97 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 126.408 1.883 . . . . 10.0 110.065 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -136.56 153.55 76.09 Favored Pre-proline 0 CA--C 1.543 0.689 0 C-N-CA 126.296 1.838 . . . . 10.0 110.916 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -68.54 143.02 55.58 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.027 2.484 . . . . 10.0 112.496 -176.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -68.06 -30.07 69.18 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.605 1.162 . . . . 10.0 113.061 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.41 99.93 1.01 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.001 1.32 . . . . 10.0 111.871 177.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.59 -33.19 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 124.947 1.299 . . . . 10.0 112.972 175.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.5 p -130.88 150.61 51.96 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.271 1.829 . . . . 10.0 111.977 173.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m . . . . . 0 C--O 1.252 1.23 0 C-N-CA 125.855 1.662 . . . . 10.0 110.842 -175.747 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.397 0 N-CA-C 111.788 -0.525 . . . . 10.0 111.788 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.9 p -158.61 -23.77 0.08 Allowed 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 125.503 1.521 . . . . 10.0 114.539 -178.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m170 58.55 146.95 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 127.241 2.217 . . . . 10.0 116.309 -170.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -140.46 160.15 40.63 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.086 1.754 . . . . 10.0 109.904 167.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -99.78 150.84 21.92 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 113.076 0.769 . . . . 10.0 113.076 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.6 t -138.97 147.64 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 C-N-CA 124.975 1.31 . . . . 10.0 108.848 175.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.8 m -109.55 122.6 47.78 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.599 1.559 . . . . 10.0 108.614 -175.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mt -120.9 125.84 48.49 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.757 0.823 . . . . 10.0 110.39 -165.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -112.77 172.76 6.74 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.415 1.086 . . . . 10.0 111.723 171.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.4 p -138.88 167.67 21.52 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.473 0.709 . . . . 10.0 112.687 -168.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -59.88 -25.11 64.81 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 123.959 0.904 . . . . 10.0 112.353 166.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -79.73 3.32 19.69 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.266 1.426 . . . . 10.0 113.158 172.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 16.4 mt-30 57.76 55.48 5.45 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.708 2.003 . . . . 10.0 112.988 170.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -140.24 142.23 35.82 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 127.764 2.426 . . . . 10.0 106.181 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.7 m -125.87 141.55 51.93 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.158 0.89 . . . . 10.0 111.836 -177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 26.7 p90 -144.06 170.73 15.38 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.463 1.505 . . . . 10.0 111.785 -175.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -124.48 118.69 27.19 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 126.24 1.816 . . . . 10.0 110.357 -163.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.6 mm -126.21 157.66 36.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.954 1.702 . . . . 10.0 109.949 -168.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -140.75 132.18 26.85 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.004 0.922 . . . . 10.0 111.125 172.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.47 170.25 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 126.835 2.054 . . . . 10.0 109.425 174.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -70.06 137.69 87.2 Favored Pre-proline 0 CA--C 1.552 1.031 0 O-C-N 120.446 -1.409 . . . . 10.0 113.296 -177.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -54.12 -27.29 45.7 Favored 'Trans proline' 0 C--N 1.356 0.923 0 C-N-CA 124.057 3.171 . . . . 10.0 116.118 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -114.0 7.62 16.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.262 1.425 . . . . 10.0 114.04 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -72.97 159.42 33.71 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.16 -0.962 . . . . 10.0 110.923 162.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 60.0 p -79.4 167.45 20.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.356 0.662 . . . . 10.0 112.102 174.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -54.62 -25.97 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 N-CA-C 112.894 0.702 . . . . 10.0 112.894 175.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -47.14 -41.42 17.59 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.549 1.14 . . . . 10.0 112.384 169.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.54 -46.61 82.13 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.656 1.116 . . . . 10.0 112.898 175.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mt -59.65 -30.82 69.0 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.822 1.649 . . . . 10.0 112.82 174.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . 0.302 0.0 OUTLIER -112.53 -20.09 11.87 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 -166.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -63.52 -41.81 98.48 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 118.711 -0.662 . . . . 10.0 110.591 156.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.98 -39.82 72.26 Favored 'General case' 0 C--N 1.349 0.55 0 CA-C-N 119.601 1.092 . . . . 10.0 113.569 -168.015 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 pp -70.97 -23.64 23.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.205 0.912 . . . . 10.0 112.439 -171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -58.8 -30.46 67.62 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.716 0.806 . . . . 10.0 111.56 173.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 51.0 m -68.96 -13.87 62.7 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.869 1.063 . . . . 10.0 113.869 175.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -118.53 -31.9 4.76 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.51 1.524 . . . . 10.0 113.505 -174.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -108.77 -11.08 15.09 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 126.006 1.722 . . . . 10.0 113.215 -178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.67 145.83 9.43 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 126.186 1.85 . . . . 10.0 115.325 168.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 tppt? -50.41 -33.46 20.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.71 2.004 . . . . 10.0 112.961 166.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.47 -19.35 65.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 125.478 1.511 . . . . 10.0 114.415 -177.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -134.03 -24.41 1.67 Allowed 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.696 1.369 . . . . 10.0 114.696 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -138.68 62.54 28.97 Favored Pre-proline 0 CA--C 1.545 0.782 0 C-N-CA 125.241 1.416 . . . . 10.0 111.414 179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -63.69 130.02 26.7 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 122.89 2.393 . . . . 10.0 111.695 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.6 p -50.82 -38.36 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 125.169 1.388 . . . . 10.0 112.972 178.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.78 -18.42 55.01 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.28 2.232 . . . . 10.0 115.477 178.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -142.2 -7.45 0.69 Allowed Glycine 0 CA--C 1.534 1.236 0 N-CA-C 115.75 1.06 . . . . 10.0 115.75 -174.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -75.93 147.88 38.62 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.808 1.804 . . . . 10.0 112.93 175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -139.85 158.25 44.4 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 129.428 3.091 . . . . 10.0 109.227 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mp -140.07 156.23 46.68 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.071 1.348 . . . . 10.0 111.944 -172.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.7 mm -139.24 143.02 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 127.797 2.439 . . . . 10.0 109.321 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -122.8 91.27 3.46 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.783 0.833 . . . . 10.0 110.796 169.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.12 20.07 2.37 Favored 'General case' 0 CA--C 1.552 1.049 0 N-CA-C 116.649 2.092 . . . . 10.0 116.649 172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 135.07 -2.6 3.98 Favored Glycine 0 CA--C 1.534 1.273 0 N-CA-C 115.573 0.989 . . . . 10.0 115.573 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -123.45 153.55 40.31 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.121 1.368 . . . . 10.0 110.945 176.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.3 mt -99.04 121.41 49.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 123.756 0.822 . . . . 10.0 108.942 -171.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 mp -74.13 145.14 44.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.171 0.988 . . . . 10.0 111.103 177.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 23.1 t30 -130.28 126.66 37.8 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 125.158 1.383 . . . . 10.0 111.602 -164.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -61.81 -11.33 11.99 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.578 1.325 . . . . 10.0 114.578 -178.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -112.95 4.41 16.77 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 125.814 1.646 . . . . 10.0 113.844 -177.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.0 m -127.96 144.93 51.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.289 1.436 . . . . 10.0 110.41 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.454 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -80.35 147.01 31.25 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 114.717 1.377 . . . . 10.0 114.717 -171.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -43.54 -49.9 7.31 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.74 2.016 . . . . 10.0 115.651 -176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -21.47 65.65 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 116.284 1.957 . . . . 10.0 116.284 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -77.62 -24.04 49.66 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.677 1.126 . . . . 10.0 112.334 178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -75.64 -14.79 60.38 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 112.47 0.544 . . . . 10.0 112.47 166.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 48.5 mttp 64.7 41.76 5.05 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 127.608 2.363 . . . . 10.0 112.49 176.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 144.94 13.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.773 1.229 . . . . 10.0 110.091 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -123.56 141.79 51.66 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.846 1.258 . . . . 10.0 111.457 -178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -62.74 -15.37 52.83 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 114.49 1.293 . . . . 10.0 114.49 -174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -102.87 -4.41 24.86 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 125.606 1.562 . . . . 10.0 113.268 177.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -99.89 176.62 5.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.124 1.37 . . . . 10.0 110.588 172.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -133.65 165.5 24.77 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 114.282 1.216 . . . . 10.0 114.282 178.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 3.7 t -128.9 150.39 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 129.939 3.296 . . . . 10.0 107.18 -169.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 t -113.86 144.1 22.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.9 0.88 . . . . 10.0 109.389 177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -122.24 136.98 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 125.344 1.458 . . . . 10.0 109.664 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 58.9 ttm -133.46 163.59 29.03 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.827 2.451 . . . . 10.0 109.818 -171.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 74.8 t -130.67 137.42 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 O-C-N 121.004 -1.06 . . . . 10.0 109.861 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 24.9 p -138.98 150.04 45.4 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.344 1.458 . . . . 10.0 110.683 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.5 tptp 43.46 53.26 9.55 Favored Pre-proline 0 CA--C 1.558 1.255 0 C-N-CA 125.954 1.702 . . . . 10.0 114.609 -175.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -70.32 174.15 10.43 Favored 'Trans proline' 0 CA--C 1.543 0.959 0 C-N-CA 123.334 2.69 . . . . 10.0 112.245 176.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? -72.77 55.77 0.39 Allowed 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 126.218 1.807 . . . . 10.0 112.389 173.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.13 99.69 1.16 Allowed 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.929 1.292 . . . . 10.0 111.382 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.9 m -132.0 3.69 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.273 0 C-N-CA 125.238 1.415 . . . . 10.0 113.779 -176.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.4 m -130.77 150.35 51.99 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.088 1.755 . . . . 10.0 111.423 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.1 p . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.208 1.803 . . . . 10.0 112.227 -178.444 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 112.036 -0.426 . . . . 10.0 112.036 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.0 m -132.39 7.03 4.17 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.293 1.22 . . . . 10.0 114.293 -171.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -66.49 167.17 11.21 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 122.259 1.028 . . . . 10.0 113.365 175.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 53.0 ttm -125.16 137.63 54.15 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 127.454 2.302 . . . . 10.0 107.94 168.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -99.8 139.61 35.21 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 123.815 0.846 . . . . 10.0 110.897 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.0 t -138.01 148.06 25.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.435 0 C-N-CA 125.946 1.698 . . . . 10.0 109.021 -173.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 62.7 m -107.64 124.04 49.38 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.155 1.382 . . . . 10.0 109.229 -175.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -117.76 124.15 47.75 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.25 1.02 . . . . 10.0 109.699 -171.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.4 ptmt -118.13 165.69 13.47 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.183 0.993 . . . . 10.0 112.686 176.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 69.7 p -139.98 162.09 36.02 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.892 0.701 . . . . 10.0 112.892 -164.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -59.99 -20.0 55.36 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.675 1.19 . . . . 10.0 113.063 170.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -79.63 8.52 6.37 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.56 1.544 . . . . 10.0 113.235 175.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 56.58 49.47 14.62 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.209 1.803 . . . . 10.0 112.457 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -140.13 142.22 36.03 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.026 1.73 . . . . 10.0 108.442 -174.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.6 m -136.51 143.0 43.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.25 1.02 . . . . 10.0 111.095 -177.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -147.17 170.24 17.63 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.989 1.316 . . . . 10.0 112.154 -176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -122.22 122.01 38.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 126.427 1.891 . . . . 10.0 110.624 -167.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 45.7 mm -129.06 147.43 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 125.902 1.681 . . . . 10.0 109.892 -173.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -137.72 129.93 29.16 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.784 0.834 . . . . 10.0 111.815 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.25 170.05 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 127.438 2.295 . . . . 10.0 109.518 -179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -62.41 125.74 86.49 Favored Pre-proline 0 CA--C 1.552 1.023 0 O-C-N 120.464 -1.398 . . . . 10.0 112.115 174.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -67.15 -22.34 47.26 Favored 'Trans proline' 0 CA--C 1.54 0.824 0 C-N-CA 122.997 2.465 . . . . 10.0 113.689 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -81.45 -5.26 57.74 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.133 1.373 . . . . 10.0 114.322 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.0 161.73 13.58 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.414 1.086 . . . . 10.0 110.968 178.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 61' ' ' ALA . 38.5 p -81.86 167.63 18.8 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.308 -0.87 . . . . 10.0 113.324 -174.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 93.4 t -54.61 -25.28 14.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.467 1.107 . . . . 10.0 113.332 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -49.11 -45.21 43.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.711 1.142 . . . . 10.0 112.558 170.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.88 -42.68 97.43 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.071 0.767 . . . . 10.0 113.071 -179.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.93 -44.41 69.65 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.004 1.722 . . . . 10.0 112.117 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.54 -31.52 32.68 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 114.625 1.342 . . . . 10.0 114.625 -173.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.94 -38.67 69.8 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 121.651 -0.656 . . . . 10.0 111.886 173.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -34.55 78.64 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.511 1.05 . . . . 10.0 113.319 -174.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.2 pp -72.85 -24.71 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 CA-C-N 118.605 0.639 . . . . 10.0 112.188 -176.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.52 -33.32 74.67 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 121.285 -0.885 . . . . 10.0 111.403 171.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.8 m -66.02 -21.36 66.39 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 120.847 -1.158 . . . . 10.0 113.477 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -100.59 -36.94 8.99 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.996 1.318 . . . . 10.0 113.795 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -99.66 -22.75 15.28 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.802 1.241 . . . . 10.0 113.19 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.78 155.32 27.16 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 126.605 2.05 . . . . 10.0 114.281 -178.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -51.38 -34.79 35.87 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 125.697 1.599 . . . . 10.0 112.079 166.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -58.65 -16.94 18.42 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.472 1.909 . . . . 10.0 114.336 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -131.69 -36.84 1.21 Allowed 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 114.402 1.26 . . . . 10.0 114.402 -178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -140.1 66.97 32.95 Favored Pre-proline 0 N--CA 1.477 0.88 0 CA-C-N 119.715 1.143 . . . . 10.0 111.696 -177.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -66.68 131.64 26.51 Favored 'Trans proline' 0 CA--C 1.534 0.498 0 C-N-CA 122.841 2.36 . . . . 10.0 111.066 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.2 t -54.5 -31.49 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 124.421 1.088 . . . . 10.0 112.52 175.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.99 -10.62 59.24 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 115.536 1.68 . . . . 10.0 115.536 175.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.29 0.35 Allowed Glycine 0 CA--C 1.535 1.313 0 N-CA-C 116.411 1.324 . . . . 10.0 116.411 -171.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -73.45 155.46 39.25 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.441 1.621 . . . . 10.0 113.157 174.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -140.09 153.93 46.88 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 128.424 2.69 . . . . 10.0 109.473 177.154 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -140.44 137.42 33.92 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.304 1.442 . . . . 10.0 110.476 -167.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 20.2 mm -137.53 139.21 43.8 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 125.663 1.585 . . . . 10.0 110.824 -175.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -114.83 83.98 1.99 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.947 0.899 . . . . 10.0 111.165 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 54.36 27.99 8.83 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.623 1.969 . . . . 10.0 115.258 177.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 126.05 -5.67 7.81 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.259 1.409 . . . . 10.0 114.485 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.6 mttp -99.7 138.9 36.13 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.79 1.636 . . . . 10.0 109.472 -178.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 65.6 mt -99.74 96.36 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.303 1.041 . . . . 10.0 108.654 -171.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 mp -66.95 142.75 57.16 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.673 1.189 . . . . 10.0 111.396 -176.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -130.25 132.47 45.96 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.281 1.432 . . . . 10.0 113.047 -160.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -62.43 -10.67 12.26 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -119.44 11.58 12.19 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.499 1.52 . . . . 10.0 113.049 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 94.0 m -132.06 138.53 48.2 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.876 1.27 . . . . 10.0 110.183 -179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 25' ' ' THR . . . -74.36 148.44 41.27 Favored 'General case' 0 CA--C 1.538 0.494 0 N-CA-C 113.901 1.074 . . . . 10.0 113.901 -171.121 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -47.71 -40.09 19.32 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.989 1.715 . . . . 10.0 114.654 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -22.23 63.18 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.409 1.633 . . . . 10.0 115.409 -178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -76.79 -16.73 59.38 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.107 0.867 . . . . 10.0 112.926 -178.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 19.4 m-85 -82.84 -3.63 57.05 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.658 0.783 . . . . 10.0 112.777 168.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt 50.22 42.93 26.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 127.261 2.224 . . . . 10.0 113.51 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 3.8 mt -64.56 147.0 12.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.848 0.859 . . . . 10.0 109.858 176.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -123.51 138.85 54.49 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.826 1.251 . . . . 10.0 110.86 -178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -65.64 -12.33 52.44 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.498 1.296 . . . . 10.0 114.498 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -99.75 -11.41 20.86 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.768 1.627 . . . . 10.0 113.122 177.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -99.61 174.52 6.2 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.255 1.422 . . . . 10.0 111.282 177.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 8.8 p90 -132.64 160.58 36.26 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 124.339 1.056 . . . . 10.0 113.475 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 1.8 m -127.13 150.65 33.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 127.61 2.364 . . . . 10.0 108.049 -178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.1 t -105.88 143.74 16.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 124.117 0.967 . . . . 10.0 110.268 -176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 t -118.11 140.46 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 125.731 1.612 . . . . 10.0 109.727 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.6 mpt? -132.79 160.25 37.41 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.622 1.969 . . . . 10.0 110.143 -178.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 51.8 t -140.35 135.96 36.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 123.991 0.916 . . . . 10.0 111.096 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.8 t -140.86 158.85 43.36 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.564 1.146 . . . . 10.0 111.847 165.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.608 ' H ' ' HD2' ' A' ' 80' ' ' PRO . 7.3 mmtt -145.14 -44.32 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.762 0 CA-C-O 116.944 -1.503 . . . . 10.0 114.667 177.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.608 ' HD2' ' H ' ' A' ' 79' ' ' LYS . 93.0 Cg_endo -81.16 -19.49 8.0 Favored 'Trans proline' 0 C--N 1.354 0.835 0 CA-C-N 121.836 1.691 . . . . 10.0 114.74 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm -148.5 148.08 29.83 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 126.105 1.762 . . . . 10.0 111.985 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.54 104.08 5.94 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.99 0.916 . . . . 10.0 110.622 170.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.8 m -137.64 159.98 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 125.457 1.503 . . . . 10.0 112.076 -178.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.6 t -130.92 158.72 39.46 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.826 1.65 . . . . 10.0 112.33 178.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 39.5 m . . . . . 0 C--O 1.254 1.305 0 C-N-CA 126.131 1.772 . . . . 10.0 111.134 -174.58 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.615 0 N-CA-C 110.838 -0.905 . . . . 10.0 110.838 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.4 m -60.9 -24.24 65.83 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.187 0.995 . . . . 10.0 113.484 174.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -128.67 166.6 18.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.462 1.905 . . . . 10.0 110.039 169.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.2 ptm -135.08 156.15 49.51 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.024 1.73 . . . . 10.0 110.238 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -115.6 143.41 45.37 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.81 1.244 . . . . 10.0 110.824 -174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.17 150.24 30.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.234 1.014 . . . . 10.0 110.328 -177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.5 m -104.88 127.23 52.62 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.059 1.344 . . . . 10.0 109.486 177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 HD12 ' CE2' ' A' ' 16' ' ' PHE . 13.4 mt -121.06 125.48 47.41 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.253 1.021 . . . . 10.0 112.114 -171.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -99.62 144.08 29.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.384 1.474 . . . . 10.0 111.445 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 57.9 p -104.7 162.68 13.08 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.961 1.304 . . . . 10.0 112.531 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 91.9 mt -60.91 -26.38 67.43 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.513 0.725 . . . . 10.0 112.593 168.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.8 mp0 -79.91 8.07 7.64 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.375 1.87 . . . . 10.0 113.271 175.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 62.85 44.94 5.9 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.898 1.679 . . . . 10.0 113.045 174.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -126.19 153.43 44.67 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 126.798 2.039 . . . . 10.0 108.285 176.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 m -132.23 141.77 49.16 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.042 0.537 . . . . 10.0 111.706 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 8' ' ' LEU . 49.2 p90 -141.89 171.29 14.26 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 125.103 1.361 . . . . 10.0 112.701 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -129.48 125.0 35.42 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.842 2.057 . . . . 10.0 109.105 -171.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 1.3 pp -140.46 165.81 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.131 1.373 . . . . 10.0 111.716 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -140.6 142.14 35.09 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.434 1.094 . . . . 10.0 112.031 -176.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.9 170.1 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 127.017 2.127 . . . . 10.0 110.639 178.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -63.27 132.43 95.11 Favored Pre-proline 0 CA--C 1.552 1.045 0 O-C-N 120.7 -1.25 . . . . 10.0 111.918 172.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -67.97 -28.26 35.7 Favored 'Trans proline' 0 C--N 1.353 0.775 0 C-N-CA 123.148 2.565 . . . . 10.0 113.078 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -77.47 -10.11 59.28 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.162 1.785 . . . . 10.0 113.961 176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -94.66 157.84 15.79 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.466 1.03 . . . . 10.0 111.23 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 31.5 p -78.77 167.3 21.4 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.877 0.846 . . . . 10.0 112.901 -174.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 75.3 t -55.96 -26.31 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 124.104 0.961 . . . . 10.0 112.259 176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -48.57 -44.5 36.75 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.465 1.106 . . . . 10.0 112.535 171.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -47.13 74.54 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.278 0.944 . . . . 10.0 113.089 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.8 tp -58.96 -38.23 78.59 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.001 1.721 . . . . 10.0 111.55 173.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -81.0 -39.02 26.57 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 125.18 1.392 . . . . 10.0 114.19 -177.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.44 -42.45 92.39 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 123.39 0.676 . . . . 10.0 112.059 173.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -29.56 70.12 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 114.29 1.219 . . . . 10.0 114.29 -172.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.6 pp -80.19 -18.43 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 N-CA-C 113.454 0.909 . . . . 10.0 113.454 -179.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -59.89 -33.19 71.51 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.28 0.946 . . . . 10.0 111.038 166.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.2 m -72.68 -16.19 61.69 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.857 1.058 . . . . 10.0 113.857 173.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -100.09 -33.92 10.27 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.895 1.278 . . . . 10.0 113.256 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -120.65 -12.63 8.86 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.248 1.419 . . . . 10.0 113.831 -173.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.8 149.52 25.43 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.817 1.675 . . . . 10.0 114.721 169.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -50.06 -33.4 18.29 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.546 1.938 . . . . 10.0 112.919 168.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -66.49 -21.22 66.18 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.025 1.33 . . . . 10.0 114.273 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -126.76 -29.89 2.82 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 114.127 1.158 . . . . 10.0 114.127 -172.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.2 m-85 -140.11 64.1 25.66 Favored Pre-proline 0 CA--C 1.546 0.817 0 C-N-CA 125.001 1.32 . . . . 10.0 111.597 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -65.43 131.09 26.95 Favored 'Trans proline' 0 C--N 1.349 0.559 0 C-N-CA 122.692 2.262 . . . . 10.0 110.976 177.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -53.31 -36.26 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.262 0 C-N-CA 124.508 1.123 . . . . 10.0 112.776 178.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -69.68 -10.75 59.51 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 115.171 1.545 . . . . 10.0 115.171 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -145.66 19.14 1.83 Allowed Glycine 0 CA--C 1.531 1.081 0 CA-C-O 118.594 -1.114 . . . . 10.0 114.953 -169.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.99 157.54 22.34 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 118.893 1.346 . . . . 10.0 113.926 174.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -140.11 160.2 40.48 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 128.775 2.83 . . . . 10.0 109.919 -173.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.4 mp -140.03 145.92 38.37 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.655 1.182 . . . . 10.0 113.175 -176.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 27.6 mm -134.88 139.52 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 126.426 1.89 . . . . 10.0 109.416 176.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -99.72 -61.2 1.4 Allowed 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.147 0.885 . . . . 10.0 112.675 174.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.93 25.24 2.13 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 124.896 1.278 . . . . 10.0 112.618 -173.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.65 3.06 49.95 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 124.62 1.105 . . . . 10.0 113.497 -170.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -102.43 156.02 17.87 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.72 2.008 . . . . 10.0 110.079 171.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 9.0 mm -99.16 114.54 37.36 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 N-CA-C 108.139 -1.06 . . . . 10.0 108.139 -176.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -70.81 130.2 41.06 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 173.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -120.3 136.64 54.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.195 1.398 . . . . 10.0 112.886 -163.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -61.53 -15.86 42.28 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.132 1.773 . . . . 10.0 115.687 -169.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -118.03 5.86 12.09 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.329 1.452 . . . . 10.0 113.831 -169.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.3 m -128.9 141.02 51.42 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.641 1.176 . . . . 10.0 110.688 -178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.59 145.43 53.96 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.351 1.46 . . . . 10.0 114.7 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.41 -45.64 12.87 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 127.209 2.204 . . . . 10.0 115.836 -179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.25 -21.3 64.83 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 115.238 1.57 . . . . 10.0 115.238 -178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -68.26 -26.24 65.57 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.294 0.952 . . . . 10.0 112.466 179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 48.3 m-85 -82.4 -7.93 59.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.939 0.895 . . . . 10.0 113.221 176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 66.6 mttm 53.85 45.17 28.36 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.626 2.37 . . . . 10.0 113.772 -175.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 7.1 mt -68.06 147.39 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 C-N-CA 123.433 0.693 . . . . 10.0 109.843 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -135.75 140.79 44.61 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.812 1.245 . . . . 10.0 111.598 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -62.14 -13.72 29.94 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.265 1.58 . . . . 10.0 115.265 -177.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -99.56 2.7 44.96 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.919 1.288 . . . . 10.0 112.432 176.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 34.0 t-20 -118.71 175.31 5.8 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.718 1.607 . . . . 10.0 110.525 172.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 27.4 p90 -135.24 161.05 36.47 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.281 1.215 . . . . 10.0 114.281 -174.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 30.4 t -125.53 150.82 31.02 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 129.797 3.239 . . . . 10.0 107.611 -173.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.44 129.35 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 124.435 1.094 . . . . 10.0 109.925 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 m -99.98 131.02 48.21 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.535 1.534 . . . . 10.0 109.775 169.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -140.61 166.88 23.54 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.665 1.186 . . . . 10.0 111.594 -178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.11 160.49 33.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.146 0.979 . . . . 10.0 113.4 -178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.3 p -135.83 69.18 1.43 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.615 1.566 . . . . 10.0 109.337 172.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 91.2 mttt -63.83 156.98 70.49 Favored Pre-proline 0 CA--C 1.546 0.813 0 C-N-CA 125.569 1.548 . . . . 10.0 112.564 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_endo -74.62 -4.48 15.48 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.904 3.07 . . . . 10.0 115.038 -178.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -58.18 164.28 2.47 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.429 1.492 . . . . 10.0 113.85 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.28 99.25 5.78 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.896 1.278 . . . . 10.0 109.844 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.5 t -140.31 144.9 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.357 1.863 . . . . 10.0 109.496 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 69.9 m -130.32 130.94 45.11 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.067 1.347 . . . . 10.0 111.106 -179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 C--O 1.253 1.281 0 C-N-CA 129.313 3.045 . . . . 10.0 111.251 -6.207 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.591 0 N-CA-C 111.986 -0.446 . . . . 10.0 111.986 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -66.25 -14.67 62.33 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 115.338 1.607 . . . . 10.0 115.338 -175.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 m80 -138.65 160.51 39.44 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.189 1.396 . . . . 10.0 112.065 -177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.5 ttm -140.26 141.08 35.87 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 127.055 2.142 . . . . 10.0 109.129 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -99.92 147.4 25.59 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.407 0.683 . . . . 10.0 110.928 172.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.8 t -140.12 141.07 34.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.363 1.465 . . . . 10.0 109.898 -176.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 60.1 m -102.12 126.25 49.02 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.414 1.485 . . . . 10.0 109.967 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -120.39 122.28 40.41 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.805 1.242 . . . . 10.0 112.164 -168.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 63.3 mttm -99.79 161.2 13.76 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 126.4 1.88 . . . . 10.0 111.71 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 68.1 p -139.63 165.15 28.01 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.632 1.173 . . . . 10.0 112.722 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -59.85 -23.49 63.43 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.422 1.089 . . . . 10.0 112.662 171.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -79.34 15.67 1.18 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.576 1.951 . . . . 10.0 112.4 175.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 55.35 41.71 30.88 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 127.134 2.173 . . . . 10.0 113.424 166.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -140.59 159.57 41.92 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 126.576 1.95 . . . . 10.0 110.753 -179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 m -137.45 141.4 41.59 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.932 0.893 . . . . 10.0 111.262 -173.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 49.6 p90 -148.3 156.56 42.68 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.265 1.426 . . . . 10.0 110.796 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.4 mttt -112.22 142.93 44.1 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.889 0.876 . . . . 10.0 113.216 -178.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 34.0 mm -129.23 158.67 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 C-N-CA 128.258 2.623 . . . . 10.0 108.764 -172.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.32 134.47 34.31 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.647 0.779 . . . . 10.0 112.167 174.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -145.48 170.39 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 126.625 1.97 . . . . 10.0 110.516 -178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -71.81 120.05 77.8 Favored Pre-proline 0 CA--C 1.555 1.159 0 O-C-N 120.593 -1.317 . . . . 10.0 110.557 168.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -68.94 -12.61 34.84 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.323 2.682 . . . . 10.0 115.021 -176.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -84.81 -4.32 59.02 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 119.375 0.989 . . . . 10.0 112.94 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -83.1 164.04 20.52 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.223 -0.923 . . . . 10.0 110.926 168.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 76.7 p -78.81 170.04 17.29 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.835 0.854 . . . . 10.0 111.728 179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.4 t -51.69 -25.51 5.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 124.744 1.217 . . . . 10.0 113.549 174.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -46.45 -42.25 15.08 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.108 1.363 . . . . 10.0 112.675 168.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.01 98.14 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.761 1.023 . . . . 10.0 113.761 -176.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 43.0 mt -70.06 -48.67 56.85 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.645 0.778 . . . . 10.0 110.692 171.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HE3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -80.43 -29.02 37.61 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 114.227 1.195 . . . . 10.0 114.227 -166.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -67.12 -38.95 86.48 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 121.65 -0.656 . . . . 10.0 111.973 169.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -36.45 73.48 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 119.465 1.029 . . . . 10.0 113.371 -173.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 2.0 pp -72.88 -19.18 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 CA-C-N 119.229 0.922 . . . . 10.0 112.573 -174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.76 -33.01 68.04 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.704 1.202 . . . . 10.0 112.44 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.0 p -76.45 -19.5 57.99 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 113.72 1.008 . . . . 10.0 113.72 177.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -94.54 -35.22 12.36 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.052 1.341 . . . . 10.0 113.373 -176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -118.01 -4.95 11.01 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.792 1.237 . . . . 10.0 113.995 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 90.9 141.13 9.17 Favored Glycine 0 CA--C 1.53 1.011 0 C-N-CA 125.775 1.655 . . . . 10.0 113.664 170.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -57.36 -28.05 62.81 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.324 1.449 . . . . 10.0 112.588 170.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.13 -20.35 62.56 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 125.642 1.577 . . . . 10.0 114.516 173.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -127.26 -24.11 3.44 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.71 1.204 . . . . 10.0 114.211 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -140.02 66.72 32.87 Favored Pre-proline 0 CA--C 1.545 0.77 0 C-N-CA 125.437 1.495 . . . . 10.0 110.94 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -67.37 134.6 33.96 Favored 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 123.021 2.481 . . . . 10.0 111.244 178.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.408 HG13 ' HE3' ' A' ' 30' ' ' LYS . 6.9 t -53.42 -30.85 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 124.722 1.209 . . . . 10.0 112.847 170.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.38 -11.98 60.66 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.523 1.675 . . . . 10.0 115.523 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -148.89 -1.64 0.4 Allowed Glycine 0 N--CA 1.475 1.264 0 N-CA-C 116.873 1.509 . . . . 10.0 116.873 -167.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -84.15 157.95 21.52 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 119.878 1.839 . . . . 10.0 112.828 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -140.07 159.01 43.15 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 127.851 2.461 . . . . 10.0 110.463 -177.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.3 147.75 40.37 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.074 0.949 . . . . 10.0 112.678 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.2 mm -132.35 143.72 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.92 0 C-N-CA 127.829 2.451 . . . . 10.0 109.76 -177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -125.96 95.93 4.58 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.12 1.368 . . . . 10.0 110.012 171.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 55.92 12.49 0.9 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 127.645 2.378 . . . . 10.0 117.404 173.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 139.3 -3.64 2.74 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 124.786 1.184 . . . . 10.0 114.561 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -125.77 148.49 49.08 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 126.917 2.087 . . . . 10.0 109.5 -175.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.1 mt -92.52 127.56 44.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.882 0.873 . . . . 10.0 108.677 -173.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.0 mt -76.8 99.35 5.11 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.902 0.881 . . . . 10.0 110.054 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -67.68 130.47 43.11 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.415 1.086 . . . . 10.0 113.017 -175.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -71.62 -0.92 11.89 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.568 1.692 . . . . 10.0 115.568 -173.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -123.84 17.62 9.41 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.888 1.675 . . . . 10.0 112.359 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 88.9 m -128.44 135.88 50.1 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.552 1.541 . . . . 10.0 110.5 -177.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.98 142.46 57.84 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.47 1.108 . . . . 10.0 112.898 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.1 mt -62.27 -32.3 72.99 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.632 1.345 . . . . 10.0 114.632 -169.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -20.87 66.28 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.473 1.656 . . . . 10.0 115.473 176.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.72 -22.12 66.07 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.67 1.123 . . . . 10.0 112.591 170.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -92.09 -1.56 57.13 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.515 1.126 . . . . 10.0 113.356 175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 44.61 43.19 6.35 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 126.949 2.1 . . . . 10.0 113.454 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 37.4 mt -63.5 153.11 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 124.612 1.165 . . . . 10.0 110.594 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -134.04 151.58 51.48 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.31 1.444 . . . . 10.0 112.088 -171.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -70.6 -16.43 62.85 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.331 1.453 . . . . 10.0 114.418 -172.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.11 16.66 4.6 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.89 1.676 . . . . 10.0 113.481 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -99.14 174.7 6.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.946 -1.131 . . . . 10.0 107.946 150.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -137.39 160.26 39.6 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 122.99 1.376 . . . . 10.0 114.497 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 28.8 t -117.49 150.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 129.941 3.297 . . . . 10.0 107.159 -176.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.1 t -120.93 125.28 73.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.687 0 C-N-CA 124.447 1.099 . . . . 10.0 109.033 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -99.91 139.3 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 124.421 1.088 . . . . 10.0 109.288 179.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 62.7 mtm -133.71 160.75 36.63 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.738 2.015 . . . . 10.0 109.693 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 9.1 p -140.73 152.32 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.073 -1.017 . . . . 10.0 113.429 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.2 t -140.12 150.79 44.71 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.707 1.603 . . . . 10.0 111.266 172.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 23.8 tptm -135.14 78.09 53.71 Favored Pre-proline 0 N--CA 1.473 0.719 0 C-N-CA 126.146 1.778 . . . . 10.0 109.411 -174.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -62.24 -17.05 54.91 Favored 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.564 2.843 . . . . 10.0 115.554 -166.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.5 -38.09 76.94 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.044 1.338 . . . . 10.0 112.982 169.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -140.81 85.98 2.02 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.414 1.485 . . . . 10.0 110.667 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.3 p -129.58 -5.31 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 C-N-CA 124.752 1.221 . . . . 10.0 114.002 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.6 m -130.46 150.14 51.81 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.507 1.523 . . . . 10.0 111.779 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.252 1.227 0 C-N-CA 126.492 1.917 . . . . 10.0 112.871 -176.988 . . . . . . . . 0 0 . 1 stop_ save_